CID 474361

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

Structural Information

Molecular Formula
C19H15F5N2O7
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)OC3=C(C(=C(C(=C3F)F)F)F)F)OC(=O)C
InChI
InChI=1S/C19H15F5N2O7/c1-7(27)30-6-10-9(31-8(2)28)5-12(32-10)26-4-3-11(25-19(26)29)33-18-16(23)14(21)13(20)15(22)17(18)24/h3-4,9-10,12H,5-6H2,1-2H3/t9-,10+,12+/m0/s1
InChIKey
SIPCOVRZPREJSD-HOSYDEDBSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-[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

478.07996 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.08724 201.8
[M+Na]+ 501.06918 212.9
[M-H]- 477.07268 204.9
[M+NH4]+ 496.11378 207.7
[M+K]+ 517.04312 210.1
[M+H-H2O]+ 461.07722 188.5
[M+HCOO]- 523.07816 214.4
[M+CH3COO]- 537.09381 236.8
[M+Na-2H]- 499.05463 194.8
[M]+ 478.07941 204.3
[M]- 478.08051 204.3
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.