CID 135427888

Chembl205130

Structural Information

Molecular Formula
C9H6N4O4
SMILES
C1=CN=C(C=N1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C9H6N4O4/c14-6-5(9(16)17)12-7(13-8(6)15)4-3-10-1-2-11-4/h1-3,14H,(H,16,17)(H,12,13,15)
InChIKey
UUPPOBBBMAWWMW-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-pyrazin-2-yl-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.03891 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04619 149.0
[M+Na]+ 257.02813 159.1
[M-H]- 233.03163 147.6
[M+NH4]+ 252.07273 159.0
[M+K]+ 273.00207 154.3
[M+H-H2O]+ 217.03617 140.1
[M+HCOO]- 279.03711 165.1
[M+CH3COO]- 293.05276 182.5
[M+Na-2H]- 255.01358 154.9
[M]+ 234.03836 147.5
[M]- 234.03946 147.5
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.