CID 135422898

Chembl111433

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C17H12N2O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)15-16(20)10-4-2-3-5-12(10)18-15/h2-8,19,21H,1H3
InChIKey
AOHZJKSTSDMBIZ-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

111
Patents

276.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.097146 162.2
[M+Na]+ 299.079088 174.8
[M-H]- 275.082594 167.8
[M+NH4]+ 294.123693 180.6
[M+K]+ 315.053028 167.8
[M+H-H2O]+ 259.087130 155.4
[M+HCOO]- 321.088071 183.1
[M+CH3COO]- 335.103721 175.1
[M+Na-2H]- 297.064536 165.3
[M]+ 276.08932142 164.6
[M]- 276.09041858 164.6
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