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Hydroxy-N-des{[2-(2-hydroxy)ethoxy]ethyl} quetiapine
SpectraBase Compound ID CS1wB3NBfCL
InChI InChI=1S/C17H17N3OS/c21-14-6-3-4-12-16(14)22-15-7-2-1-5-13(15)19-17(12)20-10-8-18-9-11-20/h1-7,18,21H,8-11H2
InChIKey DEPPDLVJQNNDHK-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMH9UsNLcue
Name Hydroxy-N-des{[2-(2-hydroxy)ethoxy]ethyl} quetiapine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c21-14-6-3-4-12-16(14)22-15-7-2-1-5-13(15)19-17(12)20-10-8-18-9-11-20/h1-7,18,21H,8-11H2
InChIKey DEPPDLVJQNNDHK-UHFFFAOYSA-N
SMILES Oc1cccc2C(N3CCNCC3)=Nc3ccccc3Sc12
SPLASH splash10-002f-2390000000-774bc53633de4c24924c
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences