PubChemLite - Hdp-hpmpa (C28H52N5O6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=NC2=C(N=CN=C21)N)CO)O

InChI

InChI=1S/C28H52N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-37-18-16-19-39-40(35,36)24-38-25(21-34)20-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25,34H,2-21,24H2,1H3,(H,35,36)(H2,29,30,31)/t25-/m0/s1

InChIKey

DPIOHFGAQQGXIS-VWLOTQADSA-N

Compound name

[(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

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]+	586.37282	247.4
[M+Na]+	608.35476	245.8
[M-H]-	584.35826	240.0
[M+NH4]+	603.39936	246.2
[M+K]+	624.32870	241.8
[M+H-H2O]+	568.36280	233.1
[M+HCOO]-	630.36374	262.8
[M+CH3COO]-	644.37939	256.4
[M+Na-2H]-	606.34021	242.4
[M]+	585.36499	258.7
[M]-	585.36609	258.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

586.37282

247.4

[M+Na]+

608.35476

245.8

[M-H]-

584.35826

240.0

[M+NH4]+

603.39936

246.2

[M+K]+

624.32870

241.8

[M+H-H2O]+

568.36280

233.1

[M+HCOO]-

630.36374

262.8

[M+CH3COO]-

644.37939

256.4

[M+Na-2H]-

606.34021

242.4

[M]+

585.36499

258.7

[M]-

585.36609

258.7

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

Hdp-hpmpa

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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