CID 5272744

Smfu

Structural Information

Molecular Formula
C10H13FN2O5
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O
InChI
InChI=1S/C10H13FN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,4,6-7,9,14-15H,3H2,1H3,(H,12,16,17)/t4-,6+,7-,9+/m0/s1
InChIKey
VEIPDPYFJUUBOQ-WOPPDYDQSA-N
Compound name
5-fluoro-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.08084 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08812 153.0
[M+Na]+ 283.07006 163.5
[M-H]- 259.07356 153.8
[M+NH4]+ 278.11466 166.2
[M+K]+ 299.04400 160.3
[M+H-H2O]+ 243.07810 145.7
[M+HCOO]- 305.07904 168.7
[M+CH3COO]- 319.09469 188.2
[M+Na-2H]- 281.05551 153.2
[M]+ 260.08029 151.8
[M]- 260.08139 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe