| SpectraBase Spectrum ID |
GWX6QcFWTr6 |
| Name |
Quetiapine TMS |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
455.206275022 u |
| Formula |
C24H33N3O2SSi |
| InChI |
InChI=1S/C24H33N3O2SSi/c1-31(2,3)29-19-18-28-17-16-26-12-14-27(15-13-26)24-20-8-4-6-10-22(20)30-23-11-7-5-9-21(23)25-24/h4-11H,12-19H2,1-3H3 |
| InChIKey |
HEKVRGURHOROPQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
455.692 g/mol |
| Nominal Mass |
455 u |
| Quality |
995 |
| Retention Index |
3304 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CCOCCO[Si](C)(C)C |
| SPLASH |
splash10-03k9-3291000000-9db13d4c1749a8547bd0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
11-(4-(2-(2-((trimethylsilyl)oxy)ethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032617 |
