Metabolite mirtazapine-N-oxide

Name

mirtazapine-N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

V9B48BTE8H

CAS number

Not Available

Weight

Average: 281.3523
Monoisotopic: 281.152812245

Chemical Formula

C₁₇H₁₉N₃O

InChI Key

GAFCUVMEBFTFQJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3O/c1-20(21)10-9-19-16(12-20)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)19/h2-8,16H,9-12H2,1H3

IUPAC Name

5-methyl-2,5lambda5,19-triazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8,10,12,16,18-hexaen-5-one

SMILES

CN1(=O)CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00di-0190000000-c5738c2f4bba6b1ecd54

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	172.4909984	predicted	DarkChem Lite v0.1.0
[M-H]-	174.2465984	predicted	DarkChem Lite v0.1.0
[M-H]-	159.6148	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.7211984	predicted	DarkChem Lite v0.1.0
[M+H]+	174.1827984	predicted	DarkChem Lite v0.1.0
[M+H]+	161.97282	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.5545984	predicted	DarkChem Lite v0.1.0
[M+Na]+	174.0974984	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.06596	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties