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]+ 205.06078 141.5
[M+Na]+ 227.04272 151.5
[M-H]- 203.04622 142.6
[M+NH4]+ 222.08732 155.9
[M+K]+ 243.01666 146.4
[M+H-H2O]+ 187.05076 134.0
[M+HCOO]- 249.05170 160.8
[M+CH3COO]- 263.06735 177.0
[M+Na-2H]- 225.02817 148.1
[M]+ 204.05295 139.4
[M]- 204.05405 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.