CID 462388

L-sfmau

Structural Information

Molecular Formula
C10H13FN2O4S
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](S2)CO)O)F
InChI
InChI=1S/C10H13FN2O4S/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
InChIKey
RCDAZGNPWLZONT-XQXXSGGOSA-N
Compound name
1-[(2S,3R,4R,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.058 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06528 156.5
[M+Na]+ 299.04722 167.0
[M-H]- 275.05072 156.7
[M+NH4]+ 294.09182 171.1
[M+K]+ 315.02116 161.5
[M+H-H2O]+ 259.05526 149.9
[M+HCOO]- 321.05620 167.9
[M+CH3COO]- 335.07185 189.4
[M+Na-2H]- 297.03267 153.3
[M]+ 276.05745 155.7
[M]- 276.05855 155.7
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.