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]+ 211.07134 141.5
[M+Na]+ 233.05328 151.0
[M-H]- 209.05678 143.2
[M+NH4]+ 228.09788 156.2
[M+K]+ 249.02722 147.6
[M+H-H2O]+ 193.06132 134.7
[M+HCOO]- 255.06226 160.0
[M+CH3COO]- 269.07791 175.7
[M+Na-2H]- 231.03873 145.8
[M]+ 210.06351 139.8
[M]- 210.06461 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.