CID 74603628

Tenofovir-monophosphate

Structural Information

Molecular Formula
C9H15N5O7P2
SMILES
CC(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)
InChIKey
BQDRSOMUPPCKPB-UHFFFAOYSA-N
Compound name
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-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

No literature data available for this compound.

Patent stripe

patents stripe