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 175.1
[M+Na]+ 345.15734 179.1
[M-H]- 321.16084 181.0
[M+NH4]+ 340.20194 185.9
[M+K]+ 361.13128 178.7
[M+H-H2O]+ 305.16538 165.7
[M+HCOO]- 367.16632 187.1
[M+CH3COO]- 381.18197 183.5
[M+Na-2H]- 343.14279 179.5
[M]+ 322.16757 168.9
[M]- 322.16867 168.9
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.