CID 3053734

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

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(N1CCC=C1)(N2CC3=CC=CC=C3CC4=CC=CC=C42)O
InChI
InChI=1S/C20H22N2O/c1-20(23,21-12-6-7-13-21)22-15-18-10-3-2-8-16(18)14-17-9-4-5-11-19(17)22/h2-6,8-12,23H,7,13-15H2,1H3
InChIKey
YTRFEQPPIKGSLB-UHFFFAOYSA-N
Compound name
1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.9
[M+Na]+ 329.16244 187.2
[M+NH4]+ 324.20704 183.8
[M+K]+ 345.13638 182.5
[M-H]- 305.16594 179.0
[M+Na-2H]- 327.14789 181.9
[M]+ 306.17267 178.5
[M]- 306.17377 178.5
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.