CID 474362

[(2r,3s,5r)-3-acetoxy-5-[5-methyl-2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate

Structural Information

Molecular Formula
C20H17F5N2O7
SMILES
CC1=CN(C(=O)N=C1OC2=C(C(=C(C(=C2F)F)F)F)F)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C
InChI
InChI=1S/C20H17F5N2O7/c1-7-5-27(12-4-10(32-9(3)29)11(33-12)6-31-8(2)28)20(30)26-19(7)34-18-16(24)14(22)13(21)15(23)17(18)25/h5,10-12H,4,6H2,1-3H3/t10-,11+,12+/m0/s1
InChIKey
UPBLBAWWZMRVND-QJPTWQEYSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.09558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.10286 206.4
[M+Na]+ 515.08480 217.8
[M-H]- 491.08830 209.7
[M+NH4]+ 510.12940 212.0
[M+K]+ 531.05874 215.0
[M+H-H2O]+ 475.09284 193.2
[M+HCOO]- 537.09378 218.6
[M+CH3COO]- 551.10943 241.1
[M+Na-2H]- 513.07025 198.3
[M]+ 492.09503 209.6
[M]- 492.09613 209.6
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.