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

1119
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 158.5
[M+Na]+ 287.07909 173.7
[M+NH4]+ 282.12369 166.7
[M+K]+ 303.05303 170.4
[M-H]- 263.08259 161.2
[M+Na-2H]- 285.06454 165.2
[M]+ 264.08932 161.4
[M]- 264.09042 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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