CID 453021

((2s,3s,4r,5s)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl)methyl benzoate

Structural Information

Molecular Formula
C17H17FN2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O)F
InChI
InChI=1S/C17H17FN2O6/c1-9-7-20(17(24)19-14(9)22)15-12(18)13(21)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,21H,8H2,1H3,(H,19,22,24)/t11-,12+,13-,15-/m1/s1
InChIKey
OJDDTIXUFHWVKV-QVHKTLOISA-N
Compound name
[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.10706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11434 179.9
[M+Na]+ 387.09628 188.8
[M-H]- 363.09978 185.0
[M+NH4]+ 382.14088 188.8
[M+K]+ 403.07022 185.2
[M+H-H2O]+ 347.10432 170.4
[M+HCOO]- 409.10526 195.5
[M+CH3COO]- 423.12091 209.5
[M+Na-2H]- 385.08173 178.2
[M]+ 364.10651 180.6
[M]- 364.10761 180.6
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.