CID 470869

Methyl 1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4-dioxo-pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C10H12N2O6S
SMILES
COC(=O)C1=CN(C(=O)NC1=O)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H12N2O6S/c1-17-9(15)5-2-12(10(16)11-8(5)14)6-4-19-7(3-13)18-6/h2,6-7,13H,3-4H2,1H3,(H,11,14,16)/t6-,7+/m1/s1
InChIKey
IOIMVIOKQMOMAH-RQJHMYQMSA-N
Compound name
methyl 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4-dioxopyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0416 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04888 159.1
[M+Na]+ 311.03082 168.1
[M-H]- 287.03432 162.2
[M+NH4]+ 306.07542 171.9
[M+K]+ 327.00476 165.9
[M+H-H2O]+ 271.03886 152.7
[M+HCOO]- 333.03980 172.0
[M+CH3COO]- 347.05545 190.7
[M+Na-2H]- 309.01627 158.3
[M]+ 288.04105 162.4
[M]- 288.04215 162.4
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.