PubChemLite - Pmcdg dipivoxil (C22H34N5O8P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26)

InChIKey

JLKJXDOWBVVABZ-UHFFFAOYSA-N

Compound name

[[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethyl-(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]+	528.22178	220.2
[M+Na]+	550.20372	226.6
[M+NH4]+	545.24832	221.6
[M+K]+	566.17766	228.3
[M-H]-	526.20722	222.5
[M+Na-2H]-	548.18917	223.9
[M]+	527.21395	222.4
[M]-	527.21505	222.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.22178

220.2

[M+Na]+

550.20372

226.6

[M+NH4]+

545.24832

221.6

[M+K]+

566.17766

228.3

[M-H]-

526.20722

222.5

[M+Na-2H]-

548.18917

223.9

[M]+

527.21395

222.4

[M]-

527.21505

222.4

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

Pmcdg dipivoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe