CID 23035

Leucoindigo

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)O)O

InChI

InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H

InChIKey

VIFKLIUAPGUEBV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1123
Patents: 264.08987 Da
Monoisotopic Mass: 3.2
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]+	265.09715	156.7
[M+Na]+	287.07909	168.7
[M-H]-	263.08259	159.9
[M+NH4]+	282.12369	174.2
[M+K]+	303.05303	160.9
[M+H-H2O]+	247.08713	150.5
[M+HCOO]-	309.08807	176.3
[M+CH3COO]-	323.10372	168.9
[M+Na-2H]-	285.06454	161.5
[M]+	264.08932	157.1
[M]-	264.09042	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe