CID 464205

Tenofovir

Structural Information

Molecular Formula
C9H14N5O4P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
InChIKey
SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7157
References

32255
Patents

287.07834 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08562 163.5
[M+Na]+ 310.06756 171.6
[M-H]- 286.07106 159.6
[M+NH4]+ 305.11216 175.1
[M+K]+ 326.04150 169.5
[M+H-H2O]+ 270.07560 153.1
[M+HCOO]- 332.07654 185.2
[M+CH3COO]- 346.09219 197.4
[M+Na-2H]- 308.05301 166.4
[M]+ 287.07779 166.0
[M]- 287.07889 166.0
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

No patent data available for this compound.