CID 3053728

6,11-dihydro-5-(1-piperidinylacetyl)-5h-dibenz(b,e)azepine monohydrochloride

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC(N1CCC=CC1)(N2CC3=CC=CC=C3CC4=CC=CC=C42)O
InChI
InChI=1S/C21H24N2O/c1-21(24,22-13-7-2-8-14-22)23-16-19-11-4-3-9-17(19)15-18-10-5-6-12-20(18)23/h2-7,9-12,24H,8,13-16H2,1H3
InChIKey
BTYSQSGCDKAJER-UHFFFAOYSA-N
Compound name
1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(3,6-dihydro-2H-pyridin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.6
[M+Na]+ 343.17809 183.0
[M-H]- 319.18159 183.0
[M+NH4]+ 338.22269 190.4
[M+K]+ 359.15203 180.6
[M+H-H2O]+ 303.18613 170.1
[M+HCOO]- 365.18707 190.1
[M+CH3COO]- 379.20272 186.7
[M+Na-2H]- 341.16354 184.4
[M]+ 320.18832 171.4
[M]- 320.18942 171.4
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.