CID 3022153

Brn 5614226

Structural Information

Molecular Formula
C15H12N2O6
SMILES
C1=CC(=CC=C1NC(=O)C(=O)NC2=CC(=C(C=C2)C(=O)O)O)O
InChI
InChI=1S/C15H12N2O6/c18-10-4-1-8(2-5-10)16-13(20)14(21)17-9-3-6-11(15(22)23)12(19)7-9/h1-7,18-19H,(H,16,20)(H,17,21)(H,22,23)
InChIKey
CTIPGEMNBSKJHT-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[[2-(4-hydroxyanilino)-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06955 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07683 170.2
[M+Na]+ 339.05877 178.9
[M+NH4]+ 334.10337 173.8
[M+K]+ 355.03271 176.8
[M-H]- 315.06227 170.9
[M+Na-2H]- 337.04422 174.3
[M]+ 316.06900 170.9
[M]- 316.07010 170.9
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.