CID 378608

Nsc661248

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

C1CN(C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C18H18N2/c1-4-8-18-14(5-1)9-11-20(18)12-10-15-13-19-17-7-3-2-6-16(15)17/h1-8,13,19H,9-12H2

InChIKey

JFNPAIFYPYOSES-UHFFFAOYSA-N

Compound name

3-[2-(2,3-dihydroindol-1-yl)ethyl]-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.147 Da
Monoisotopic Mass: 4.2
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]+	263.154276	160.8
[M+Na]+	285.136218	169.8
[M-H]-	261.139724	165.8
[M+NH4]+	280.180823	179.8
[M+K]+	301.110158	162.8
[M+H-H2O]+	245.144260	152.7
[M+HCOO]-	307.145201	181.0
[M+CH3COO]-	321.160851	172.6
[M+Na-2H]-	283.121666	164.7
[M]+	262.14645142	160.5
[M]-	262.14754858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.