CID 125172

Fu-o-g

Structural Information

Molecular Formula
C11H13FN2O8
SMILES
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=NC(=O)N2)F)O)O)O
InChI
InChI=1S/C11H13FN2O8/c1-20-9(18)7-5(16)4(15)6(17)10(21-7)22-8-3(12)2-13-11(19)14-8/h2,4-7,10,15-17H,1H3,(H,13,14,19)/t4-,5-,6+,7-,10-/m0/s1
InChIKey
OEAJKPYORNFNEN-XOEVEMGQSA-N
Compound name
methyl (2S,3S,4S,5R,6S)-6-[(5-fluoro-2-oxo-1H-pyrimidin-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

320.06558 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07286 166.0
[M+Na]+ 343.05480 173.8
[M-H]- 319.05830 164.9
[M+NH4]+ 338.09940 173.6
[M+K]+ 359.02874 172.5
[M+H-H2O]+ 303.06284 157.1
[M+HCOO]- 365.06378 177.1
[M+CH3COO]- 379.07943 197.6
[M+Na-2H]- 341.04025 166.0
[M]+ 320.06503 164.9
[M]- 320.06613 164.9
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