CID 60172

Adefovir

Structural Information

Molecular Formula

C₈H₁₂N₅O₄P

SMILES

C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N

InChI

InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)

InChIKey

SUPKOOSCJHTBAH-UHFFFAOYSA-N

Compound name

2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1164
References: 16157
Patents: 273.06268 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.06996	157.3
[M+Na]+	296.05190	166.1
[M+NH4]+	291.09650	160.5
[M+K]+	312.02584	166.3
[M-H]-	272.05540	153.7
[M+Na-2H]-	294.03735	159.5
[M]+	273.06213	156.9
[M]-	273.06323	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe