CID 470867

5-ethyl-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H14N2O4S/c1-2-6-3-12(10(15)11-9(6)14)7-5-17-8(4-13)16-7/h3,7-8,13H,2,4-5H2,1H3,(H,11,14,15)/t7-,8+/m1/s1
InChIKey
UQRSWECTUQCWRY-SFYZADRCSA-N
Compound name
5-ethyl-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 154.4
[M+Na]+ 281.05662 164.0
[M-H]- 257.06012 157.4
[M+NH4]+ 276.10122 168.8
[M+K]+ 297.03056 160.6
[M+H-H2O]+ 241.06466 148.0
[M+HCOO]- 303.06560 167.7
[M+CH3COO]- 317.08125 186.5
[M+Na-2H]- 279.04207 154.0
[M]+ 258.06685 156.1
[M]- 258.06795 156.1
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.