CID 71316322

2101981-64-8

Structural Information

Molecular Formula
C8H10FN3O4S
SMILES
C1[C@H](O[C@H]([S@@]1=O)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17+/m0/s1
InChIKey
DMOMZPWPIDCLMB-WYDPKHCQSA-N
Compound name
4-amino-5-fluoro-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.0376 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.044876 152.0
[M+Na]+ 286.026818 162.8
[M-H]- 262.030324 155.0
[M+NH4]+ 281.071423 166.4
[M+K]+ 302.000758 159.6
[M+H-H2O]+ 246.034860 144.5
[M+HCOO]- 308.035801 166.7
[M+CH3COO]- 322.051451 191.5
[M+Na-2H]- 284.012266 151.5
[M]+ 263.03705142 152.5
[M]- 263.03814858 152.5
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.