CID 477693

Chembl424612

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
InChIKey
GPUARNPEQNPVEX-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-5-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

267.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.7
[M+Na]+ 290.07876 170.1
[M-H]- 266.08226 165.2
[M+NH4]+ 285.12336 176.8
[M+K]+ 306.05270 165.0
[M+H-H2O]+ 250.08680 152.0
[M+HCOO]- 312.08774 179.6
[M+CH3COO]- 326.10339 197.8
[M+Na-2H]- 288.06421 160.5
[M]+ 267.08899 160.6
[M]- 267.09009 160.6
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

No patent data available for this compound.