SpectraBase Spectrum ID |
5VtJ9aOkLce |
Name |
Pipamperone TMS |
Classification |
Pharmaceutical drug, tranquiliser |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
447.271732172 u |
Formula |
C24H38FN3O2Si |
InChI |
InChI=1S/C24H38FN3O2Si/c1-31(2,3)30-22(20-9-11-21(25)12-10-20)8-7-15-27-18-13-24(14-19-27,23(26)29)28-16-5-4-6-17-28/h8-12H,4-7,13-19H2,1-3H3,(H2,26,29)/b22-8- |
InChIKey |
RHEFUXXHGAUDNX-UYOCIXKTSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
447.670 g/mol |
Nominal Mass |
447 u |
Quality |
998 |
Retention Index |
2998 |
SMILES |
NC(C1(N2CCCCC2)CCN(CC1)CC\C=C\(C=1C=CC(=CC1)F)O[Si](C)(C)C)=O |
SPLASH |
splash10-00sr-4913000000-74ac571d4ec41562fc8d |
Sample Comments |
TMS position uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1'-((3Z)-4-(4-fluorophenyl)-4-((trimethylsilyl)oxy)but-3-en-1-yl)[1,4'-bipiperidine]-4'-carboxamide |
Technique |
GC/MS |
Wiley ID |
DD2024_006505 |