CID 135434753

2-(3-aminopyrazin-2-yl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H7N5O4
SMILES
C1=CN=C(C(=N1)C2=NC(=C(C(=O)N2)O)C(=O)O)N
InChI
InChI=1S/C9H7N5O4/c10-6-4(11-1-2-12-6)7-13-3(9(17)18)5(15)8(16)14-7/h1-2,15H,(H2,10,12)(H,17,18)(H,13,14,16)
InChIKey
OILLZTYYNYJPQG-UHFFFAOYSA-N
Compound name
2-(3-aminopyrazin-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0498 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05708 154.0
[M+Na]+ 272.03902 164.1
[M-H]- 248.04252 152.6
[M+NH4]+ 267.08362 163.1
[M+K]+ 288.01296 159.0
[M+H-H2O]+ 232.04706 145.1
[M+HCOO]- 294.04800 170.6
[M+CH3COO]- 308.06365 188.8
[M+Na-2H]- 270.02447 158.6
[M]+ 249.04925 151.3
[M]- 249.05035 151.3
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.