Metabolite clomipramine N-oxide

Name

clomipramine N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

2HU39OEA67

CAS number

Not Available

Weight

Average: 330.852
Monoisotopic: 330.149891075

Chemical Formula

C₁₉H₂₃ClN₂O

InChI Key

ARNOTLDVJSFYBP-UHFFFAOYSA-N

InChI

InChI=1S/C19H23ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3

IUPAC Name

3-{14-chloro-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-N,N-dimethylpropanamine oxide

SMILES

CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0006-2092000000-0b9516b1f7c51439dce5

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	179.6183042	predicted	DarkChem Lite v0.1.0
[M-H]-	165.59123	predicted	DeepCCS 1.0 (2019)
[M+H]+	180.2498042	predicted	DarkChem Lite v0.1.0
[M+H]+	167.94923	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.7062042	predicted	DarkChem Lite v0.1.0
[M+Na]+	174.04237	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties