CID 135771892

Chembl390334

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1=CC(=C(C=C1N=CNC(=O)C2=NC=CN=C2)O)C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-11-5-8(1-2-9(11)13(20)21)16-7-17-12(19)10-6-14-3-4-15-10/h1-7,18H,(H,20,21)(H,16,17,19)
InChIKey
OLTOCCMXWOCMPM-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(pyrazine-2-carbonylamino)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.0702 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 161.5
[M+Na]+ 309.05942 168.2
[M-H]- 285.06292 164.8
[M+NH4]+ 304.10402 172.6
[M+K]+ 325.03336 164.9
[M+H-H2O]+ 269.06746 152.1
[M+HCOO]- 331.06840 183.6
[M+CH3COO]- 345.08405 201.1
[M+Na-2H]- 307.04487 167.2
[M]+ 286.06965 160.9
[M]- 286.07075 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.