CID 3048896

64097-56-9

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)NC4=CC=CC=C4CC3

InChI

InChI=1S/C20H24N2/c1-4-12-22(13-5-1)15-16-8-11-20-18(14-16)10-9-17-6-2-3-7-19(17)21-20/h2-3,6-8,11,14,21H,1,4-5,9-10,12-13,15H2

InChIKey

LVIUATNZUAAENC-UHFFFAOYSA-N

Compound name

3-(piperidin-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.19394 Da
Monoisotopic Mass: 4.4
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]+	293.201216	170.9
[M+Na]+	315.183158	174.5
[M-H]-	291.186664	174.7
[M+NH4]+	310.227763	183.6
[M+K]+	331.157098	170.9
[M+H-H2O]+	275.191200	161.9
[M+HCOO]-	337.192141	182.7
[M+CH3COO]-	351.207791	178.8
[M+Na-2H]-	313.168606	175.3
[M]+	292.19339142	161.0
[M]-	292.19448858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe