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
6
Annotation Hits

303
References

6357
Patents

363.23105 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 192.9
[M+Na]+ 386.22027 205.1
[M+NH4]+ 381.26487 199.9
[M+K]+ 402.19421 196.9
[M-H]- 362.22377 196.4
[M+Na-2H]- 384.20572 198.3
[M]+ 363.23050 195.7
[M]- 363.23160 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe