CID 3010090

Chembl333559

Structural Information

Molecular Formula
C8H11FN2O5
SMILES
C1=C(C(=O)NC(=O)N1COC(CO)CO)F
InChI
InChI=1S/C8H11FN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15)
InChIKey
KPMLGIYWYCZVPK-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

234.0652 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07248 144.9
[M+Na]+ 257.05442 154.0
[M-H]- 233.05792 141.1
[M+NH4]+ 252.09902 158.2
[M+K]+ 273.02836 151.0
[M+H-H2O]+ 217.06246 137.1
[M+HCOO]- 279.06340 161.9
[M+CH3COO]- 293.07905 182.4
[M+Na-2H]- 255.03987 148.2
[M]+ 234.06465 145.0
[M]- 234.06575 145.0
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.