CID 470870

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

Structural Information

Molecular Formula
C9H11N3O5S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=O)NC2=O)C(=O)N
InChI
InChI=1S/C9H11N3O5S/c10-7(14)4-1-12(9(16)11-8(4)15)5-3-18-6(2-13)17-5/h1,5-6,13H,2-3H2,(H2,10,14)(H,11,15,16)/t5-,6+/m1/s1
InChIKey
ORJNEAIVZJSSFX-RITPCOANSA-N
Compound name
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4-dioxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.04193 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04921 156.6
[M+Na]+ 296.03115 165.2
[M-H]- 272.03465 159.2
[M+NH4]+ 291.07575 169.3
[M+K]+ 312.00509 162.1
[M+H-H2O]+ 256.03919 149.9
[M+HCOO]- 318.04013 169.9
[M+CH3COO]- 332.05578 190.9
[M+Na-2H]- 294.01660 155.6
[M]+ 273.04138 156.4
[M]- 273.04248 156.4
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.