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]+ 235.046186 149.0
[M+Na]+ 257.028128 159.1
[M-H]- 233.031634 147.6
[M+NH4]+ 252.072733 159.0
[M+K]+ 273.002068 154.3
[M+H-H2O]+ 217.036170 140.1
[M+HCOO]- 279.037111 165.1
[M+CH3COO]- 293.052761 182.5
[M+Na-2H]- 255.013576 154.9
[M]+ 234.03836142 147.5
[M]- 234.03945858 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.