CID 473793

1-[4,4-difluoro-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14F2N2O5
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(C(O2)CO)O)(F)F
InChI
InChI=1S/C11H14F2N2O5/c1-5-3-15(10(19)14-9(5)18)7-2-11(12,13)8(17)6(4-16)20-7/h3,6-8,16-17H,2,4H2,1H3,(H,14,18,19)
InChIKey
WPBQCBMCTVJEOB-UHFFFAOYSA-N
Compound name
1-[4,4-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08707 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09435 160.8
[M+Na]+ 315.07629 171.2
[M-H]- 291.07979 160.0
[M+NH4]+ 310.12089 172.8
[M+K]+ 331.05023 167.8
[M+H-H2O]+ 275.08433 152.2
[M+HCOO]- 337.08527 172.8
[M+CH3COO]- 351.10092 194.2
[M+Na-2H]- 313.06174 162.8
[M]+ 292.08652 157.2
[M]- 292.08762 157.2
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.