CID 470877

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

Structural Information

Molecular Formula
C9H12N4O4S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)C(=O)N
InChI
InChI=1S/C9H12N4O4S/c10-7-4(8(11)15)1-13(9(16)12-7)5-3-18-6(2-14)17-5/h1,5-6,14H,2-3H2,(H2,11,15)(H2,10,12,16)/t5-,6+/m1/s1
InChIKey
HFKJQVZHRMHJQR-RITPCOANSA-N
Compound name
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05792 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06520 157.8
[M+Na]+ 295.04714 166.0
[M-H]- 271.05064 161.2
[M+NH4]+ 290.09174 170.8
[M+K]+ 311.02108 163.2
[M+H-H2O]+ 255.05518 150.5
[M+HCOO]- 317.05612 172.6
[M+CH3COO]- 331.07177 196.3
[M+Na-2H]- 293.03259 156.8
[M]+ 272.05737 157.0
[M]- 272.05847 157.0
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.