CID 3053334

Anthranilic acid, n,n'-oxalyldi-

Structural Information

Molecular Formula
C16H12N2O6
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H12N2O6/c19-13(17-11-7-3-1-5-9(11)15(21)22)14(20)18-12-8-4-2-6-10(12)16(23)24/h1-8H,(H,17,19)(H,18,20)(H,21,22)(H,23,24)
InChIKey
ZWIKJXQWYLXXOG-UHFFFAOYSA-N
Compound name
2-[[2-(2-carboxyanilino)-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.06955 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.076826 171.2
[M+Na]+ 351.058768 175.4
[M-H]- 327.062274 175.3
[M+NH4]+ 346.103373 182.0
[M+K]+ 367.032708 173.4
[M+H-H2O]+ 311.066810 163.0
[M+HCOO]- 373.067751 191.8
[M+CH3COO]- 387.083401 207.6
[M+Na-2H]- 349.044216 172.2
[M]+ 328.06900142 169.6
[M]- 328.07009858 169.6
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