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

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe