CID 479268

1-[(2r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-fluoro-1,3-dihydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H11FN2O5S
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@H]([C@@H](S2)CO)O)O)F
InChI
InChI=1S/C9H11FN2O5S/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m0/s1
InChIKey
FLAHATSCJQFZKB-FEEAIGFJSA-N
Compound name
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.03726 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04454 155.3
[M+Na]+ 301.02648 165.4
[M-H]- 277.02998 154.2
[M+NH4]+ 296.07108 168.9
[M+K]+ 317.00042 159.9
[M+H-H2O]+ 261.03452 148.9
[M+HCOO]- 323.03546 165.7
[M+CH3COO]- 337.05111 186.6
[M+Na-2H]- 299.01193 152.4
[M]+ 278.03671 153.8
[M]- 278.03781 153.8
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.