CID 511275

[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl n-propylcarbamate

Structural Information

Molecular Formula
C12H18N4O4S
SMILES
CCCNC(=O)OC[C@@H]1O[C@@H](CS1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C12H18N4O4S/c1-2-4-14-12(18)19-6-10-20-9(7-21-10)16-5-3-8(13)15-11(16)17/h3,5,9-10H,2,4,6-7H2,1H3,(H,14,18)(H2,13,15,17)/t9-,10+/m0/s1
InChIKey
ACRBRUNSDAQVLW-VHSXEESVSA-N
Compound name
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1049 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11218 170.2
[M+Na]+ 337.09412 176.8
[M-H]- 313.09762 174.7
[M+NH4]+ 332.13872 182.4
[M+K]+ 353.06806 174.6
[M+H-H2O]+ 297.10216 161.9
[M+HCOO]- 359.10310 186.3
[M+CH3COO]- 373.11875 205.3
[M+Na-2H]- 335.07957 169.9
[M]+ 314.10435 172.6
[M]- 314.10545 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.