CID 474363

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

Structural Information

Molecular Formula
C18H14F5N5O5
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)N=[N+]=[N-]
InChI
InChI=1S/C18H14F5N5O5/c1-6-4-28(10-3-8(26-27-24)9(32-10)5-31-7(2)29)18(30)25-17(6)33-16-14(22)12(20)11(19)13(21)15(16)23/h4,8-10H,3,5H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey
HQEPCFBGXQYDGB-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-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

475.09152 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.09880 206.8
[M+Na]+ 498.08074 217.1
[M-H]- 474.08424 212.5
[M+NH4]+ 493.12534 212.9
[M+K]+ 514.05468 208.2
[M+H-H2O]+ 458.08878 196.5
[M+HCOO]- 520.08972 226.4
[M+CH3COO]- 534.10537 240.6
[M+Na-2H]- 496.06619 205.7
[M]+ 475.09097 205.0
[M]- 475.09207 205.0
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.