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N-Des[2-(2-hydroxyethoxy)ethyl] quetiapine
SpectraBase Compound ID HW9AVEKd8jZ
InChI InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2
InChIKey JLOAJISUHPIQOX-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C17H17N3S
Exact Mass 295.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xvw2uZjM1c
Name Quetiapine-M (N-dealkyl-)
Classification Neuroleptic
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Exact Mass 295.114318733 u
Formula C17H17N3S
InChI InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2
InChIKey JLOAJISUHPIQOX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 295.404 g/mol
SMILES C1N(C=2c3ccccc3Sc3ccccc3N2)CCNC1
SPLASH splash10-01t9-1290000000-ffdb45c7498c73b84ad3
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+UHY
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_6438