CID 378604

Nsc661244

Structural Information

Molecular Formula

C₁₈H₁₆N₂

SMILES

C1=CC=C2C(=C1)C=CN2CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C18H16N2/c1-4-8-18-14(5-1)9-11-20(18)12-10-15-13-19-17-7-3-2-6-16(15)17/h1-9,11,13,19H,10,12H2

InChIKey

QTHJXQCOLGYAGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 260.13135 Da
Monoisotopic Mass: 4.0
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]+	261.13863	159.0
[M+Na]+	283.12057	170.1
[M-H]-	259.12407	164.9
[M+NH4]+	278.16517	178.2
[M+K]+	299.09451	162.7
[M+H-H2O]+	243.12861	151.0
[M+HCOO]-	305.12955	182.0
[M+CH3COO]-	319.14520	171.9
[M+Na-2H]-	281.10602	164.9
[M]+	260.13080	161.6
[M]-	260.13190	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe