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]+ 248.066586 151.5
[M+Na]+ 270.048528 161.5
[M-H]- 246.052034 152.9
[M+NH4]+ 265.093133 164.0
[M+K]+ 286.022468 155.7
[M+H-H2O]+ 230.056570 143.5
[M+HCOO]- 292.057511 172.0
[M+CH3COO]- 306.073161 186.8
[M+Na-2H]- 268.033976 157.3
[M]+ 247.05876142 149.4
[M]- 247.05985858 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.