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

7117
References

31440
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

literature stripe

Patent stripe

patents stripe