CID 512176

1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13FN2O5
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=C(C(=O)NC2=O)F)O)O)CO
InChI
InChI=1S/C10H13FN2O5/c11-5-2-13(10(18)12-9(5)17)6-1-4(3-14)7(15)8(6)16/h2,4,6-8,14-16H,1,3H2,(H,12,17,18)/t4-,6-,7-,8+/m1/s1
InChIKey
IXEMCZVSTHJQAY-JBBNEOJLSA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.08084 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08812 152.9
[M+Na]+ 283.07006 162.7
[M-H]- 259.07356 151.7
[M+NH4]+ 278.11466 166.6
[M+K]+ 299.04400 157.9
[M+H-H2O]+ 243.07810 145.7
[M+HCOO]- 305.07904 167.9
[M+CH3COO]- 319.09469 185.9
[M+Na-2H]- 281.05551 152.0
[M]+ 260.08029 149.2
[M]- 260.08139 149.2
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.