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Mirtazapine-M (Nor,OH) 2AC
SpectraBase Compound ID BgWEexD3hp7
InChI InChI=1S/C20H21N3O3/c1-13(24)22-9-10-23-18(12-22)17-6-4-3-5-15(17)11-16-7-8-19(21-20(16)23)26-14(2)25/h3-8,18H,9-12H2,1-2H3
InChIKey GJQBKVUENCBSTG-UHFFFAOYSA-N
Mol Weight 351.41 g/mol
Molecular Formula C20H21N3O3
Exact Mass 351.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpHEngee7ZY
Name Mirtazapine-M (Nor,OH) 2AC
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 351.158291545 u
Formula C20H21N3O3
InChI InChI=1S/C20H21N3O3/c1-13(24)22-9-10-23-18(12-22)17-6-4-3-5-15(17)11-16-7-8-19(21-20(16)23)26-14(2)25/h3-8,18H,9-12H2,1-2H3
InChIKey GJQBKVUENCBSTG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 351.406 g/mol
Nominal Mass 351 u
Quality 885
Retention Index 2862
SMILES C12N(C3=C(CC4=C2C=CC=C4)C=CC(=N3)OC(=O)C)CCN(C1)C(=O)C
SPLASH splash10-0wmi-1591000000-620831ef4cf5f8d9180f
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-acetyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-7-yl acetate
Technique GC/MS
Wiley ID DD2024_002461