CID 3020560

85237-57-6

Structural Information

Molecular Formula
C14H13N3O4
SMILES
C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)N)C(=O)O)N)O
InChI
InChI=1S/C14H13N3O4/c15-10-3-2-8(6-9(10)14(20)21)17-13(19)7-1-4-12(18)11(16)5-7/h1-6,18H,15-16H2,(H,17,19)(H,20,21)
InChIKey
RGWHLIHIFDDLTL-UHFFFAOYSA-N
Compound name
2-amino-5-[(3-amino-4-hydroxybenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.0906 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 163.8
[M+Na]+ 310.07982 170.1
[M-H]- 286.08332 167.8
[M+NH4]+ 305.12442 176.5
[M+K]+ 326.05376 166.7
[M+H-H2O]+ 270.08786 156.0
[M+HCOO]- 332.08880 186.0
[M+CH3COO]- 346.10445 205.2
[M+Na-2H]- 308.06527 164.7
[M]+ 287.09005 159.6
[M]- 287.09115 159.6
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