CID 456203

Chembl3143028

Structural Information

Molecular Formula
C12H18N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(CCO)CO)O
InChI
InChI=1S/C12H18N2O6/c1-7-5-14(11(19)13-10(7)18)9-4-8(17)12(6-16,20-9)2-3-15/h5,8-9,15-17H,2-4,6H2,1H3,(H,13,18,19)/t8-,9+,12+/m0/s1
InChIKey
DSTKWYKISHQGKG-YGOYTEALSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(2-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

286.1165 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12378 160.7
[M+Na]+ 309.10572 169.6
[M-H]- 285.10922 161.2
[M+NH4]+ 304.15032 173.9
[M+K]+ 325.07966 166.7
[M+H-H2O]+ 269.11376 154.7
[M+HCOO]- 331.11470 175.4
[M+CH3COO]- 345.13035 189.9
[M+Na-2H]- 307.09117 162.5
[M]+ 286.11595 161.0
[M]- 286.11705 161.0
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.