CID 452020

Lamivudine sulfoxide

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
C1[C@@H](O[C@@H](S1=O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m1/s1
InChIKey
LJMQAXFNQNADRZ-FYZWQCAOSA-N
Compound name
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

245.04703 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05431 151.5
[M+Na]+ 268.03625 161.6
[M+NH4]+ 263.08085 157.3
[M+K]+ 284.01019 158.3
[M-H]- 244.03975 153.5
[M+Na-2H]- 266.02170 154.3
[M]+ 245.04648 153.5
[M]- 245.04758 153.5
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.