CID 11809635

161599-46-8

Structural Information

Molecular Formula
C13H16FN3O6
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
InChIKey
NWJBWNIUGNXJGO-RPULLILYSA-N
Compound name
[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

71
Patents

329.10233 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10961 174.4
[M+Na]+ 352.09155 182.6
[M+NH4]+ 347.13615 176.8
[M+K]+ 368.06549 183.2
[M-H]- 328.09505 173.4
[M+Na-2H]- 350.07700 174.3
[M]+ 329.10178 174.6
[M]- 329.10288 174.6
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

patents stripe