CID 71749724

Carboxy-lamivudine

Structural Information

Molecular Formula
C8H9N3O4S
SMILES
C1[C@@H](O[C@@H](S1)C(=O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14)/t5-,7+/m1/s1
InChIKey
PIIRVEZNDVLYQA-VDTYLAMSSA-N
Compound name
(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03137 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03865 149.3
[M+Na]+ 266.02059 158.0
[M-H]- 242.02409 153.1
[M+NH4]+ 261.06519 163.8
[M+K]+ 281.99453 156.0
[M+H-H2O]+ 226.02863 142.4
[M+HCOO]- 288.02957 164.1
[M+CH3COO]- 302.04522 187.1
[M+Na-2H]- 264.00604 149.7
[M]+ 243.03082 149.4
[M]- 243.03192 149.4
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.