CID 45584

63938-56-7

Structural Information

Molecular Formula

C₂₄H₂₄N₂

SMILES

C1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2

InChIKey

WEWPMAKQEUSKPV-UHFFFAOYSA-N

Compound name

N,N-dibenzyl-2-(1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 20
Patents: 340.19394 Da
Monoisotopic Mass: 5.5
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]+	341.201216	182.6
[M+Na]+	363.183158	188.1
[M-H]-	339.186664	191.2
[M+NH4]+	358.227763	196.2
[M+K]+	379.157098	180.7
[M+H-H2O]+	323.191200	172.1
[M+HCOO]-	385.192141	205.4
[M+CH3COO]-	399.207791	192.6
[M+Na-2H]-	361.168606	187.5
[M]+	340.19339142	182.8
[M]-	340.19448858	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe