CID 75525725

3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1h-isoindol-2-yl)amino]benzoic acid

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1C=CCC2C1C(=O)N(C2=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-10-5-3-4-9(8-10)15(20)21/h1-5,8,11-12,16H,6-7H2,(H,20,21)
InChIKey
HJBRBUAWGHYOIK-UHFFFAOYSA-N
Compound name
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 161.8
[M+Na]+ 309.084588 168.6
[M-H]- 285.088094 166.9
[M+NH4]+ 304.129193 177.7
[M+K]+ 325.058528 164.7
[M+H-H2O]+ 269.092630 154.5
[M+HCOO]- 331.093571 180.6
[M+CH3COO]- 345.109221 200.6
[M+Na-2H]- 307.070036 163.3
[M]+ 286.09482142 159.1
[M]- 286.09591858 159.1
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.