CID 481050

1-[(2r,4r)-4-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
C1[C@@H](CS[C@H]1N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H12N2O3S/c12-4-6-3-8(15-5-6)11-2-1-7(13)10-9(11)14/h1-2,6,8,12H,3-5H2,(H,10,13,14)/t6-,8-/m1/s1
InChIKey
PWRZJDOKRZCFLN-HTRCEHHLSA-N
Compound name
1-[(2R,4R)-4-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

228.05687 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 147.1
[M+Na]+ 251.04609 156.4
[M-H]- 227.04959 149.3
[M+NH4]+ 246.09069 163.8
[M+K]+ 267.02003 151.8
[M+H-H2O]+ 211.05413 140.7
[M+HCOO]- 273.05507 161.4
[M+CH3COO]- 287.07072 179.9
[M+Na-2H]- 249.03154 147.1
[M]+ 228.05632 146.2
[M]- 228.05742 146.2
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.