CID 135465484

Chembl383755

Structural Information

Molecular Formula
C8H6N4O4
SMILES
C1=CN=C(N1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C8H6N4O4/c13-4-3(8(15)16)11-6(12-7(4)14)5-9-1-2-10-5/h1-2,13H,(H,9,10)(H,15,16)(H,11,12,14)
InChIKey
TUKVQSJDSMBOHG-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(1H-imidazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.03891 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04619 145.2
[M+Na]+ 245.02813 155.1
[M-H]- 221.03163 142.9
[M+NH4]+ 240.07273 157.0
[M+K]+ 261.00207 150.2
[M+H-H2O]+ 205.03617 137.2
[M+HCOO]- 267.03711 161.1
[M+CH3COO]- 281.05276 177.1
[M+Na-2H]- 243.01358 148.4
[M]+ 222.03836 142.4
[M]- 222.03946 142.4
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.