CID 362359

Nsc626103

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

CC1=C2C(=CC=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N2/c1-11-6-5-8-14-17(12(2)19-18(11)14)16-10-13-7-3-4-9-15(13)20-16/h3-9,16,19-20H,10H2,1-2H3

InChIKey

QICRMZOLZDQNRS-UHFFFAOYSA-N

Compound name

3-(2,3-dihydro-1H-indol-2-yl)-2,7-dimethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.147 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]+	263.154276	161.9
[M+Na]+	285.136218	172.4
[M-H]-	261.139724	166.5
[M+NH4]+	280.180823	180.9
[M+K]+	301.110158	164.5
[M+H-H2O]+	245.144260	154.8
[M+HCOO]-	307.145201	180.6
[M+CH3COO]-	321.160851	173.8
[M+Na-2H]-	283.121666	164.1
[M]+	262.14645142	160.8
[M]-	262.14754858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe