CID 80333

5-((4-aminobenzoyl)amino)salicylic acid

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)O)C(=O)O)N
InChI
InChI=1S/C14H12N2O4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12(17)11(7-10)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20)
InChIKey
ANWCFOBHFNQQSV-UHFFFAOYSA-N
Compound name
5-[(4-aminobenzoyl)amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 159.4
[M+Na]+ 295.068918 165.8
[M-H]- 271.072424 163.7
[M+NH4]+ 290.113523 173.2
[M+K]+ 311.042858 162.4
[M+H-H2O]+ 255.076960 151.9
[M+HCOO]- 317.077901 181.4
[M+CH3COO]- 331.093551 198.6
[M+Na-2H]- 293.054366 161.7
[M]+ 272.07915142 156.5
[M]- 272.08024858 156.5
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

patents stripe