| SpectraBase Spectrum ID |
2mODWrqDUJs |
| Name |
Quetiapine ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.182398293 u |
| Formula |
C22H27N3O2S |
| InChI |
InChI=1S/C22H27N3O2S/c1-26-16-17-27-15-14-24-10-12-25(13-11-24)22-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)23-22/h2-9H,10-17H2,1H3 |
| InChIKey |
LRIPGXWNJDYKQV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.537 g/mol |
| Nominal Mass |
397 u |
| Quality |
995 |
| Retention Index |
3181 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CCOCCOC |
| SPLASH |
splash10-03di-2491000000-4036fb58b4dd5fb44015 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
11-(4-(2-(2-methoxyethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004707 |
