PubChemLite - Adefovir dipivoxil (C20H32N5O8P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)

InChIKey

WOZSCQDILHKSGG-UHFFFAOYSA-N

Compound name

[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

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]+	502.20613	209.5
[M+Na]+	524.18807	213.4
[M+NH4]+	519.23267	207.9
[M+K]+	540.16201	217.2
[M-H]-	500.19157	202.8
[M+Na-2H]-	522.17352	208.3
[M]+	501.19830	207.3
[M]-	501.19940	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.20613

209.5

[M+Na]+

524.18807

213.4

[M+NH4]+

519.23267

207.9

[M+K]+

540.16201

217.2

[M-H]-

500.19157

202.8

[M+Na-2H]-

522.17352

208.3

[M]+

501.19830

207.3

[M]-

501.19940

207.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Adefovir dipivoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe