CID 213462

1-(3-(5h-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-4-piperidinol hydrochloride ethanol

Structural Information

Molecular Formula
C28H30N2O
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53
InChI
InChI=1S/C28H30N2O/c31-28(25-11-2-1-3-12-25)17-21-29(22-18-28)19-8-20-30-26-13-6-4-9-23(26)15-16-24-10-5-7-14-27(24)30/h1-7,9-16,31H,8,17-22H2
InChIKey
UKDNBKHTAAECIB-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2358 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.24308 207.8
[M+Na]+ 433.22502 212.1
[M-H]- 409.22852 214.5
[M+NH4]+ 428.26962 217.2
[M+K]+ 449.19896 207.0
[M+H-H2O]+ 393.23306 196.0
[M+HCOO]- 455.23400 219.3
[M+CH3COO]- 469.24965 213.9
[M+Na-2H]- 431.21047 210.7
[M]+ 410.23525 200.8
[M]- 410.23635 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.