CID 9417

Opipramol

Structural Information

Molecular Formula

C₂₃H₂₉N₃O

SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO

InChI

InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2

InChIKey

YNZFUWZUGRBMHL-UHFFFAOYSA-N

Compound name

2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 303
References: 6715
Patents: 363.23105 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	364.238326	191.5
[M+Na]+	386.220268	195.6
[M-H]-	362.223774	194.1
[M+NH4]+	381.264873	200.3
[M+K]+	402.194208	192.0
[M+H-H2O]+	346.228310	180.4
[M+HCOO]-	408.229251	202.4
[M+CH3COO]-	422.244901	198.0
[M+Na-2H]-	384.205716	194.6
[M]+	363.23050142	186.0
[M]-	363.23159858	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe