CID 3068995

Brn 5579142

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

CCN1C2=CC=CC=C2C=C(C3=CC=CC=C31)CCN(C)C

InChI

InChI=1S/C20H24N2/c1-4-22-19-11-7-5-9-17(19)15-16(13-14-21(2)3)18-10-6-8-12-20(18)22/h5-12,15H,4,13-14H2,1-3H3

InChIKey

BSEPBVKLQXOIRI-UHFFFAOYSA-N

Compound name

2-(11-ethylbenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.19394 Da
Monoisotopic Mass: 4.3
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]+	293.201216	170.0
[M+Na]+	315.183158	176.6
[M-H]-	291.186664	176.4
[M+NH4]+	310.227763	186.2
[M+K]+	331.157098	176.1
[M+H-H2O]+	275.191200	162.9
[M+HCOO]-	337.192141	190.2
[M+CH3COO]-	351.207791	181.0
[M+Na-2H]-	313.168606	175.8
[M]+	292.19339142	170.3
[M]-	292.19448858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.