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Cyamemazine-M 2AC
SpectraBase Compound ID 6gmqPKo5jqD
InChI InChI=1S/C23H25N3O4S/c1-14(12-25(4)15(2)27)13-26-18-8-17(11-24)6-7-22(18)31-23-10-20(29-5)21(9-19(23)26)30-16(3)28/h6-10,14H,12-13H2,1-5H3
InChIKey DTIHFRPOVCXFLZ-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C23H25N3O4S
Exact Mass 439.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gW74aCnCq
Name Cyamemazine-M 2AC
Classification Neuroleptic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 439.156577467 u
Formula C23H25N3O4S
InChI InChI=1S/C23H25N3O4S/c1-14(12-25(4)15(2)27)13-26-18-8-17(11-24)6-7-22(18)31-23-10-20(29-5)21(9-19(23)26)30-16(3)28/h6-10,14H,12-13H2,1-5H3
InChIKey DTIHFRPOVCXFLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.530 g/mol
SMILES COc1c(cc2N(c3c(ccc(C#N)c3)Sc2c1)CC(CN(C(=O)C)C)C)OC(=O)C
SPLASH splash10-004r-6975200000-51bd59fe8cbe1cfa6dd9
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Cyamemazine-M (nor-HO-methoxy-) 2AC
Technique GC/MS
Wiley ID MMPW6e_4397