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Quetiapine-M (Desalkyl) AC
SpectraBase Compound ID 4LckpwS7alM
InChI InChI=1S/C19H19N3OS/c1-14(23)21-10-12-22(13-11-21)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)20-19/h2-9H,10-13H2,1H3
InChIKey HXDQJFMZTKIQQN-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H19N3OS
Exact Mass 337.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ttTvqgcJW5
Name Quetiapine-M (N-dealkyl-) AC
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 337.124883417 u
Formula C19H19N3OS
InChI InChI=1S/C19H19N3OS/c1-14(23)21-10-12-22(13-11-21)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)20-19/h2-9H,10-13H2,1H3
InChIKey HXDQJFMZTKIQQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.441 g/mol
SMILES CC(N1CCN(C=2c3ccccc3Sc3c(N2)cccc3)CC1)=O
SPLASH splash10-0iki-0291000000-c69241d8326c2959b525
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6434