CID 13963653

5-ethyl-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
CCC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F
InChI
InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)
InChIKey
SWFJAJRDLUUIOA-UHFFFAOYSA-N
Compound name
5-ethyl-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

1
Patents

274.0965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 162.1
[M+Na]+ 297.08572 171.7
[M+NH4]+ 292.13032 165.5
[M+K]+ 313.05966 170.8
[M-H]- 273.08922 160.7
[M+Na-2H]- 295.07117 162.5
[M]+ 274.09595 162.4
[M]- 274.09705 162.4
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

patents stripe