CID 6320284

Tenofovir phosphate

Structural Information

Molecular Formula
C9H15N5O7P2
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
InChIKey
BQDRSOMUPPCKPB-ZCFIWIBFSA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

62
Patents

367.04468 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05196 178.9
[M+Na]+ 390.03390 184.3
[M-H]- 366.03740 172.7
[M+NH4]+ 385.07850 186.2
[M+K]+ 406.00784 184.5
[M+H-H2O]+ 350.04194 166.6
[M+HCOO]- 412.04288 202.5
[M+CH3COO]- 426.05853 209.1
[M+Na-2H]- 388.01935 181.1
[M]+ 367.04413 182.3
[M]- 367.04523 182.3
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