CID 3053730

5h-dibenz(b,e)azepine, 6,11-dihydro-5-(4-morpholinylacetyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1COCCN1CC(=O)N2CC3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C20H22N2O2/c23-20(15-21-9-11-24-12-10-21)22-14-18-7-2-1-5-16(18)13-17-6-3-4-8-19(17)22/h1-8H,9-15H2
InChIKey
QVBWZDAQGLIUFO-UHFFFAOYSA-N
Compound name
1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 180.3
[M+Na]+ 345.15734 192.2
[M+NH4]+ 340.20194 187.9
[M+K]+ 361.13128 185.5
[M-H]- 321.16084 185.2
[M+Na-2H]- 343.14279 185.5
[M]+ 322.16757 183.5
[M]- 322.16867 183.5
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.