CID 451850

Chembl2368206

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=C[C@@H](O[C@@H]1CO)C2=CNC(=O)NC2=O
InChI
InChI=1S/C9H10N2O4/c12-4-5-1-2-7(15-5)6-3-10-9(14)11-8(6)13/h1-3,5,7,12H,4H2,(H2,10,11,13,14)/t5-,7+/m0/s1
InChIKey
OHFWLWCJZZTMJW-CAHLUQPWSA-N
Compound name
5-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.06406 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.5
[M+Na]+ 233.053278 151.0
[M-H]- 209.056784 143.2
[M+NH4]+ 228.097883 156.2
[M+K]+ 249.027218 147.6
[M+H-H2O]+ 193.061320 134.7
[M+HCOO]- 255.062261 160.0
[M+CH3COO]- 269.077911 175.7
[M+Na-2H]- 231.038726 145.8
[M]+ 210.06351142 139.8
[M]- 210.06460858 139.8
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.