Metabolite Imipramine N-oxide

Name

Imipramine N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 296.414
Monoisotopic: 296.188863401

Chemical Formula

C₁₉H₂₄N₂O

InChI Key

QZIQORUGXBPDSU-UHFFFAOYSA-N

InChI

InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3

IUPAC Name

3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-N,N-dimethylpropanamine oxide

SMILES

C[N+](C)([O-])CCCN1C2=CC=CC=C2CCC2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a5i-1390000000-5afdfd31ebc015d57de8
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	182.1285763	predicted	DarkChem Lite v0.1.0
[M-H]-	159.68538	predicted	DeepCCS 1.0 (2019)
[M-H]-	182.1285763	predicted	DarkChem Lite v0.1.0
[M-H]-	159.68538	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.9255763	predicted	DarkChem Lite v0.1.0
[M+H]+	162.04338	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.9255763	predicted	DarkChem Lite v0.1.0
[M+H]+	162.04338	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.4697763	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.13652	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.4697763	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.13652	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties