CID 455556

5'-o-acetyllamivudine

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CC(=O)OC[C@H]1O[C@H](CS1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H13N3O4S/c1-6(14)16-4-9-17-8(5-18-9)13-3-2-7(11)12-10(13)15/h2-3,8-9H,4-5H2,1H3,(H2,11,12,15)/t8-,9+/m1/s1
InChIKey
GOKJDGDJMGPXQO-BDAKNGLRSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.06268 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 158.0
[M+Na]+ 294.05190 166.4
[M-H]- 270.05540 162.9
[M+NH4]+ 289.09650 172.3
[M+K]+ 310.02584 164.8
[M+H-H2O]+ 254.05994 150.6
[M+HCOO]- 316.06088 173.7
[M+CH3COO]- 330.07653 194.7
[M+Na-2H]- 292.03735 157.8
[M]+ 271.06213 160.6
[M]- 271.06323 160.6
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

patents stripe