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]+ 317.076826 168.0
[M+Na]+ 339.058768 173.2
[M-H]- 315.062274 171.3
[M+NH4]+ 334.103373 179.2
[M+K]+ 355.032708 170.7
[M+H-H2O]+ 299.066810 160.2
[M+HCOO]- 361.067751 188.3
[M+CH3COO]- 375.083401 203.7
[M+Na-2H]- 337.044216 169.5
[M]+ 316.06900142 166.0
[M]- 316.07009858 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.