CID 5273751

1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-methylsulfanyl-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C10H13FN2O4S
SMILES
CSC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C10H13FN2O4S/c1-18-6-2-3-13(10(16)12-6)9-7(11)8(15)5(4-14)17-9/h2-3,5,7-9,14-15H,4H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKey
LCUZRJREBSMDDX-ZOQUXTDFSA-N
Compound name
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.058 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06528 156.8
[M+Na]+ 299.04722 166.9
[M-H]- 275.05072 158.7
[M+NH4]+ 294.09182 170.7
[M+K]+ 315.02116 163.7
[M+H-H2O]+ 259.05526 149.7
[M+HCOO]- 321.05620 168.9
[M+CH3COO]- 335.07185 191.1
[M+Na-2H]- 297.03267 155.3
[M]+ 276.05745 158.6
[M]- 276.05855 158.6
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.