CID 75607387

Lamivudine-monophosphate

Structural Information

Molecular Formula
C8H12N3O6PS
SMILES
C1C(OC(S1)COP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15)
InChIKey
WUMZLKDCOINBEA-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

22
Patents

309.01843 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02571 160.4
[M+Na]+ 332.00765 167.3
[M-H]- 308.01115 161.5
[M+NH4]+ 327.05225 171.8
[M+K]+ 347.98159 166.1
[M+H-H2O]+ 292.01569 151.2
[M+HCOO]- 354.01663 178.9
[M+CH3COO]- 368.03228 196.0
[M+Na-2H]- 329.99310 160.0
[M]+ 309.01788 161.9
[M]- 309.01898 161.9
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

patents stripe