Metabolite 2-hydroxyimipramine

Name

2-hydroxyimipramine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

S0L1IZR63V

CAS number

Not Available

Weight

Average: 296.4067
Monoisotopic: 296.1888634

Chemical Formula

C₁₉H₂₄N₂O

InChI Key

ROTCPJFWLNDKHU-UHFFFAOYSA-N

InChI

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

IUPAC Name

2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-6-ol

SMILES

CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-9170000000-c25c75c1eef21d5ff090
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-be345938c6467160197f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-8249919c56edeb74b1eb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f72-5190000000-101593011bf5ed735450
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-2090000000-148ffab23b4f636b0421
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4u-7490000000-c26d97e8c96fa9dc0469
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0900-1490000000-cad02934109af54b9baf

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.1487763	predicted	DarkChem Lite v0.1.0
[M-H]-	182.9704763	predicted	DarkChem Lite v0.1.0
[M-H]-	183.6997763	predicted	DarkChem Lite v0.1.0
[M-H]-	163.45335	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.4925763	predicted	DarkChem Lite v0.1.0
[M+H]+	183.6204763	predicted	DarkChem Lite v0.1.0
[M+H]+	184.6022763	predicted	DarkChem Lite v0.1.0
[M+H]+	165.81137	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.9747763	predicted	DarkChem Lite v0.1.0
[M+Na]+	183.1894763	predicted	DarkChem Lite v0.1.0
[M+Na]+	183.6428763	predicted	DarkChem Lite v0.1.0
[M+Na]+	171.9045	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties