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]+ 307.180496 175.1
[M+Na]+ 329.162438 180.8
[M-H]- 305.165944 180.5
[M+NH4]+ 324.207043 189.3
[M+K]+ 345.136378 178.1
[M+H-H2O]+ 289.170480 167.4
[M+HCOO]- 351.171421 189.1
[M+CH3COO]- 365.187071 184.4
[M+Na-2H]- 327.147886 179.3
[M]+ 306.17267142 169.7
[M]- 306.17376858 169.7
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.