CID 477169

[(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxymethyl acetate

Structural Information

Molecular Formula
C11H15N3O5S
SMILES
CC(=O)OCOC[C@H]1O[C@H](CS1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C11H15N3O5S/c1-7(15)18-6-17-4-10-19-9(5-20-10)14-3-2-8(12)13-11(14)16/h2-3,9-10H,4-6H2,1H3,(H2,12,13,16)/t9-,10+/m1/s1
InChIKey
ZPMLSNWFOFHJCM-ZJUUUORDSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07324 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08052 164.7
[M+Na]+ 324.06246 172.3
[M-H]- 300.06596 169.4
[M+NH4]+ 319.10706 177.6
[M+K]+ 340.03640 171.1
[M+H-H2O]+ 284.07050 156.9
[M+HCOO]- 346.07144 180.3
[M+CH3COO]- 360.08709 199.9
[M+Na-2H]- 322.04791 164.4
[M]+ 301.07269 169.0
[M]- 301.07379 169.0
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.