CID 102741

Brn 1652015

Structural Information

Molecular Formula

C₁₉H₂₄N₂

SMILES

CC(CN(C)C)N1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C19H24N2/c1-15(14-20(2)3)21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-11,15H,12-14H2,1-3H3

InChIKey

FHZGKLYMVPDVIS-UHFFFAOYSA-N

Compound name

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.19394 Da
Monoisotopic Mass: 5.4
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]+	281.201216	165.4
[M+Na]+	303.183158	170.4
[M-H]-	279.186664	171.4
[M+NH4]+	298.227763	181.7
[M+K]+	319.157098	170.6
[M+H-H2O]+	263.191200	158.5
[M+HCOO]-	325.192141	183.8
[M+CH3COO]-	339.207791	176.0
[M+Na-2H]-	301.168606	170.5
[M]+	280.19339142	163.2
[M]-	280.19448858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe