CID 3053726

5h-dibenz(b,e)azepine, 6,11-dihydro-5-((diethylamino)acetyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₀H₂₄N₂O

SMILES

CCN(CC)CC(=O)N1CC2=CC=CC=C2CC3=CC=CC=C31

InChI

InChI=1S/C20H24N2O/c1-3-21(4-2)15-20(23)22-14-18-11-6-5-9-16(18)13-17-10-7-8-12-19(17)22/h5-12H,3-4,13-15H2,1-2H3

InChIKey

MEFSPFLPSQGTGR-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.18887 Da
Monoisotopic Mass: 3.6
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]+	309.196146	172.5
[M+Na]+	331.178088	177.3
[M-H]-	307.181594	178.3
[M+NH4]+	326.222693	187.6
[M+K]+	347.152028	177.5
[M+H-H2O]+	291.186130	165.3
[M+HCOO]-	353.187071	190.9
[M+CH3COO]-	367.202721	214.1
[M+Na-2H]-	329.163536	177.1
[M]+	308.18832142	171.2
[M]-	308.18941858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.