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]+ 288.097876 163.8
[M+Na]+ 310.079818 170.1
[M-H]- 286.083324 167.8
[M+NH4]+ 305.124423 176.5
[M+K]+ 326.053758 166.7
[M+H-H2O]+ 270.087860 156.0
[M+HCOO]- 332.088801 186.0
[M+CH3COO]- 346.104451 205.2
[M+Na-2H]- 308.065266 164.7
[M]+ 287.09005142 159.6
[M]- 287.09114858 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