CID 511272

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

Structural Information

Molecular Formula
C13H20N4O5S
SMILES
C1[C@H](O[C@H](S1)COC(=O)NCCCCO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C13H20N4O5S/c14-9-3-5-17(12(19)16-9)10-8-23-11(22-10)7-21-13(20)15-4-1-2-6-18/h3,5,10-11,18H,1-2,4,6-8H2,(H,15,20)(H2,14,16,19)/t10-,11+/m0/s1
InChIKey
JARUWXCYYCAZST-WDEREUQCSA-N
Compound name
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl N-(4-hydroxybutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.11545 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12273 176.3
[M+Na]+ 367.10467 181.6
[M-H]- 343.10817 179.1
[M+NH4]+ 362.14927 186.3
[M+K]+ 383.07861 179.0
[M+H-H2O]+ 327.11271 167.8
[M+HCOO]- 389.11365 190.7
[M+CH3COO]- 403.12930 208.4
[M+Na-2H]- 365.09012 175.6
[M]+ 344.11490 178.6
[M]- 344.11600 178.6
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.