CID 164610

Isoindigotin

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8,17,19H

InChIKey

VBMISAYWIMDRCV-UHFFFAOYSA-N

Compound name

3-(2-hydroxy-1H-indol-3-yl)indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 1484
Patents: 262.07422 Da
Monoisotopic Mass: 2.6
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]+	263.08150	156.3
[M+Na]+	285.06344	169.6
[M-H]-	261.06694	162.2
[M+NH4]+	280.10804	175.2
[M+K]+	301.03738	162.6
[M+H-H2O]+	245.07148	149.5
[M+HCOO]-	307.07242	179.0
[M+CH3COO]-	321.08807	169.9
[M+Na-2H]-	283.04889	161.7
[M]+	262.07367	159.5
[M]-	262.07477	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe