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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.175396	175.1
[M+Na]+	345.157338	179.1
[M-H]-	321.160844	181.0
[M+NH4]+	340.201943	185.9
[M+K]+	361.131278	178.7
[M+H-H2O]+	305.165380	165.7
[M+HCOO]-	367.166321	187.1
[M+CH3COO]-	381.181971	183.5
[M+Na-2H]-	343.142786	179.5
[M]+	322.16757142	168.9
[M]-	322.16866858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.