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]+ 287.10265 161.8
[M+Na]+ 309.08459 168.6
[M-H]- 285.08809 166.9
[M+NH4]+ 304.12919 177.7
[M+K]+ 325.05853 164.7
[M+H-H2O]+ 269.09263 154.5
[M+HCOO]- 331.09357 180.6
[M+CH3COO]- 345.10922 200.6
[M+Na-2H]- 307.07004 163.3
[M]+ 286.09482 159.1
[M]- 286.09592 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.