CID 460555

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

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(C(=O)NC2=O)F)O)CO
InChI
InChI=1S/C10H13FN2O4/c11-6-3-13(10(17)12-9(6)16)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H,12,16,17)/t5-,7+,8+/m0/s1
InChIKey
QHTRUFIZOPJXNT-UIISKDMLSA-N
Compound name
5-fluoro-1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.08594 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 149.7
[M+Na]+ 267.07516 159.3
[M-H]- 243.07866 149.4
[M+NH4]+ 262.11976 164.6
[M+K]+ 283.04910 154.7
[M+H-H2O]+ 227.08320 142.1
[M+HCOO]- 289.08414 166.1
[M+CH3COO]- 303.09979 184.3
[M+Na-2H]- 265.06061 149.8
[M]+ 244.08539 146.0
[M]- 244.08649 146.0
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.