CID 16475

2130-56-5

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N
InChI
InChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKey
IIQLVLWFQUUZII-UHFFFAOYSA-N
Compound name
2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

2630
Patents

272.0797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 161.0
[M+Na]+ 295.06892 171.6
[M+NH4]+ 290.11352 166.4
[M+K]+ 311.04286 168.1
[M-H]- 271.07242 163.4
[M+Na-2H]- 293.05437 166.1
[M]+ 272.07915 162.7
[M]- 272.08025 162.7
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