CID 54708784

Chembl356046

Structural Information

Molecular Formula
C10H8N2O6
SMILES
C1=CN(C(=O)NC1=O)C/C=C\2/C(=C(C(=O)O2)O)O
InChI
InChI=1S/C10H8N2O6/c13-6-2-4-12(10(17)11-6)3-1-5-7(14)8(15)9(16)18-5/h1-2,4,14-15H,3H2,(H,11,13,17)/b5-1-
InChIKey
WOCIEJPCRZBOOK-KTAJNNJTSA-N
Compound name
1-[(2Z)-2-(3,4-dihydroxy-5-oxofuran-2-ylidene)ethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.03824 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04552 149.3
[M+Na]+ 275.02746 160.2
[M-H]- 251.03096 151.6
[M+NH4]+ 270.07206 162.4
[M+K]+ 291.00140 156.7
[M+H-H2O]+ 235.03550 142.5
[M+HCOO]- 297.03644 168.0
[M+CH3COO]- 311.05209 184.1
[M+Na-2H]- 273.01291 151.8
[M]+ 252.03769 150.1
[M]- 252.03879 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.