CID 454138

5-chloro-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H9ClN2O5
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=O)NC2=O)Cl
InChI
InChI=1S/C8H9ClN2O5/c9-4-1-11(8(14)10-7(4)13)5-3-15-6(2-12)16-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6-/m1/s1
InChIKey
DCPCHBMAICQGGJ-PHDIDXHHSA-N
Compound name
5-chloro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

248.02 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02728 147.7
[M+Na]+ 271.00922 158.3
[M-H]- 247.01272 151.2
[M+NH4]+ 266.05382 161.1
[M+K]+ 286.98316 156.0
[M+H-H2O]+ 231.01726 141.4
[M+HCOO]- 293.01820 160.9
[M+CH3COO]- 307.03385 183.2
[M+Na-2H]- 268.99467 151.4
[M]+ 248.01945 150.3
[M]- 248.02055 150.3
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.