CID 2189826

325697-58-3

Structural Information

Molecular Formula
C11H9N3O4
SMILES
C1=CC(=CC(=C1)O)N=CC2=C(NC(=O)NC2=O)O
InChI
InChI=1S/C11H9N3O4/c15-7-3-1-2-6(4-7)12-5-8-9(16)13-11(18)14-10(8)17/h1-5,15H,(H3,13,14,16,17,18)
InChIKey
IMSBWMRVFKRQDW-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.05931 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 151.5
[M+Na]+ 270.04853 161.5
[M-H]- 246.05203 152.9
[M+NH4]+ 265.09313 164.0
[M+K]+ 286.02247 155.7
[M+H-H2O]+ 230.05657 143.5
[M+HCOO]- 292.05751 172.0
[M+CH3COO]- 306.07316 186.8
[M+Na-2H]- 268.03398 157.3
[M]+ 247.05876 149.4
[M]- 247.05986 149.4
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.