CID 10215

Indigo

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H
InChIKey
QQILFGKZUJYXGS-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-1H-indol-2-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1256
References

24937
Patents

262.07422 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 157.0
[M+Na]+ 285.06344 169.2
[M-H]- 261.06694 162.4
[M+NH4]+ 280.10804 175.7
[M+K]+ 301.03738 162.4
[M+H-H2O]+ 245.07148 150.1
[M+HCOO]- 307.07242 178.3
[M+CH3COO]- 321.08807 170.0
[M+Na-2H]- 283.04889 161.4
[M]+ 262.07367 158.7
[M]- 262.07477 158.7
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

patents stripe