CID 5274135

2,4(1h,3h)-pyrimidinedione, 1-[2,3-dideoxy-5-o-[(difluoromethyl)hydroxyphosphinyl]-3-fluoro-.beta-.d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C11H14F3N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(F)F)O)F
InChI
InChI=1S/C11H14F3N2O6P/c1-5-3-16(11(18)15-9(5)17)8-2-6(12)7(22-8)4-21-23(19,20)10(13)14/h3,6-8,10H,2,4H2,1H3,(H,19,20)(H,15,17,18)/t6-,7+,8+/m0/s1
InChIKey
AVUBDSFDDKAMRP-XLPZGREQSA-N
Compound name
difluoromethyl-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05417 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06145 172.4
[M+Na]+ 381.04339 180.9
[M-H]- 357.04689 170.3
[M+NH4]+ 376.08799 182.0
[M+K]+ 397.01733 179.0
[M+H-H2O]+ 341.05143 160.7
[M+HCOO]- 403.05237 189.8
[M+CH3COO]- 417.06802 207.4
[M+Na-2H]- 379.02884 169.0
[M]+ 358.05362 171.0
[M]- 358.05472 171.0
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.