CID 498022

Chembl3142422

Structural Information

Molecular Formula
C12H18N2O6
SMILES
CC(C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OC
InChI
InChI=1S/C12H18N2O6/c1-6(19-2)7-4-14(12(18)13-11(7)17)10-3-8(16)9(5-15)20-10/h4,6,8-10,15-16H,3,5H2,1-2H3,(H,13,17,18)/t6?,8-,9+,10+/m0/s1
InChIKey
ONYXQKMZSAFCCZ-OMMUKZPPSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 161.5
[M+Na]+ 309.10572 169.6
[M-H]- 285.10922 163.1
[M+NH4]+ 304.15032 173.2
[M+K]+ 325.07966 167.7
[M+H-H2O]+ 269.11376 154.5
[M+HCOO]- 331.11470 176.8
[M+CH3COO]- 345.13035 193.5
[M+Na-2H]- 307.09117 161.0
[M]+ 286.11595 162.5
[M]- 286.11705 162.5
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.