| SpectraBase Spectrum ID |
JIIfqHXr9s0 |
| Name |
Quetiapine-M (COOH,desulfo) ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
379.189591674 u |
| Formula |
C22H25N3O3 |
| InChI |
InChI=1S/C22H25N3O3/c1-27-21(26)16-28-15-14-24-10-12-25(13-11-24)22-19-8-3-2-6-17(19)18-7-4-5-9-20(18)23-22/h2-9H,10-16H2,1H3 |
| InChIKey |
OMRMUPWTHQORBR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
379.460 g/mol |
| Nominal Mass |
379 u |
| Quality |
915 |
| Retention Index |
3065 |
| SMILES |
C=12C(N3CCN(CC3)CCOCC(OC)=O)=NC=3C(C1C=CC=C2)=CC=CC3 |
| SPLASH |
splash10-0a4i-2690000000-5bd890878f92d4638dfb |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2-(4-(phenanthridin-6-yl)piperazin-1-yl)ethoxy)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009299 |
