CID 6096788

Chembl188428

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=CC(=C1)O)C2=NC=C(C(=O)N2)O
InChI
InChI=1S/C10H8N2O3/c13-7-3-1-2-6(4-7)9-11-5-8(14)10(15)12-9/h1-5,13-14H,(H,11,12,15)
InChIKey
WQYMFEMSXQZGQZ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 141.5
[M+Na]+ 227.042718 151.5
[M-H]- 203.046224 142.6
[M+NH4]+ 222.087323 155.9
[M+K]+ 243.016658 146.4
[M+H-H2O]+ 187.050760 134.0
[M+HCOO]- 249.051701 160.8
[M+CH3COO]- 263.067351 177.0
[M+Na-2H]- 225.028166 148.1
[M]+ 204.05295142 139.4
[M]- 204.05404858 139.4
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.