CID 382852

Nsc670682

Structural Information

Molecular Formula
C16H11N3O4
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C16H11N3O4/c20-15(21)9-5-7-10(8-6-9)17-14-13(16(22)23)18-11-3-1-2-4-12(11)19-14/h1-8H,(H,17,19)(H,20,21)(H,22,23)
InChIKey
LWQATOCZIYNKOK-UHFFFAOYSA-N
Compound name
3-(4-carboxyanilino)quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07495 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08223 167.5
[M+Na]+ 332.06417 174.9
[M-H]- 308.06767 170.3
[M+NH4]+ 327.10877 178.2
[M+K]+ 348.03811 170.3
[M+H-H2O]+ 292.07221 158.3
[M+HCOO]- 354.07315 185.4
[M+CH3COO]- 368.08880 203.8
[M+Na-2H]- 330.04962 173.3
[M]+ 309.07440 166.9
[M]- 309.07550 166.9
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.