CID 54676398

Chembl341903

Structural Information

Molecular Formula
C10H7FN2O6
SMILES
C1=C(C(=O)NC(=O)N1C/C=C\2/C(=C(C(=O)O2)O)O)F
InChI
InChI=1S/C10H7FN2O6/c11-4-3-13(10(18)12-8(4)16)2-1-5-6(14)7(15)9(17)19-5/h1,3,14-15H,2H2,(H,12,16,18)/b5-1-
InChIKey
FLCDMIXIUMWWSV-KTAJNNJTSA-N
Compound name
1-[(2Z)-2-(3,4-dihydroxy-5-oxofuran-2-ylidene)ethyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.0288 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03608 151.7
[M+Na]+ 293.01802 163.6
[M-H]- 269.02152 153.0
[M+NH4]+ 288.06262 164.3
[M+K]+ 308.99196 159.6
[M+H-H2O]+ 253.02606 144.3
[M+HCOO]- 315.02700 169.4
[M+CH3COO]- 329.04265 188.2
[M+Na-2H]- 291.00347 153.0
[M]+ 270.02825 151.9
[M]- 270.02935 151.9
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.