Pimozide(2062-78-4) IR1
Molecular FormulaC28H29F2N3O
Molecular Weight461.55
InChIInChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChIKey YVUQSNJEYSNKRX-UHFFFAOYSA-N
SmilesC1(=O)N(C2CCN(CCCC(C3=CC=C(F)C=C3)C3=CC=C(F)C=C3)CC2)C2=CC=CC=C2N1
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MassMS2011-04587CW 1-(1-(4,4-bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone C28H29F2N3O (Mass of molecular ion: 461)
Source Temperature: 235 °C Sample Temperature: 20 °C Direct, 70 eV
17.0 1.1 18.0 4.6 28.0 4.4 32.0 1.3 39.0 1.5 41.0 7.3 42.0 30.1 43.0 3.7 44.0 18.9 51.0 1.8 52.0 2.2 53.0 2.1 54.0 2.3 55.0 7.9 56.0 4.9 57.0 3.6 58.0 1.2 65.0 1.4 67.0 5.6 68.0 4.8 69.0 3.6 70.0 4.0 77.0 1.3 78.0 1.9 79.0 4.8 80.0 4.4 81.0 1.6 82.0 26.3 83.0 26.2 84.0 15.0 85.0 1.0 90.0 1.3 92.0 1.3 93.0 1.2 94.0 2.7 95.0 2.4 96.0 28.3 97.0 3.2 98.0 1.9 101.0 2.1 103.0 1.4 105.0 2.4 106.0 5.8 107.0 1.3 108.0 1.7 109.0 21.5 110.0 1.9 111.0 1.3 115.0 2.3 115.5 4.1 118.0 1.1 119.0 2.2 120.0 1.3 121.0 1.9 122.0 3.7 123.0 2.2 124.0 1.0 130.0 1.1 131.0 3.1 132.0 1.4 133.0 2.7 134.0 17.9 135.0 6.8 144.0 1.2 145.0 2.4 146.0 1.3 147.0 8.1 148.0 1.1 149.0 3.0 159.0 1.2 160.0 2.3 161.0 1.6 170.0 1.0 171.0 1.1 172.0 1.4 173.0 4.8 174.0 2.1 183.0 11.1 184.0 1.8 187.0 44.7 188.0 7.5 200.0 2.2 201.0 11.1 202.0 3.6 203.0 12.8 204.0 2.3 214.0 1.1 215.0 1.0 216.0 2.0 217.0 31.7 218.0 4.8 229.0 1.1 230.0 100.0 231.0 15.2 232.0 1.5 243.0 1.0 244.0 1.2 245.0 3.0 256.0 1.9 286.0 1.1 324.0 10.3 325.0 4.0 326.0 5.3 327.0 2.4 328.0 1.5 460.0 1.0 461.0 23.7 462.0 7.5 463.0 1.2
Nujol
