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

1245
Patents

264.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.