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 168.0
[M+Na]+ 339.05877 173.2
[M-H]- 315.06227 171.3
[M+NH4]+ 334.10337 179.2
[M+K]+ 355.03271 170.7
[M+H-H2O]+ 299.06681 160.2
[M+HCOO]- 361.06775 188.3
[M+CH3COO]- 375.08340 203.7
[M+Na-2H]- 337.04422 169.5
[M]+ 316.06900 166.0
[M]- 316.07010 166.0
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.