PubChemLite - Olp-hpmpa (C29H52N5O6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=NC2=C(N=CN=C21)N)CO)O

InChI

InChI=1S/C29H52N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-38-19-17-20-40-41(36,37)25-39-26(22-35)21-34-24-33-27-28(30)31-23-32-29(27)34/h9-10,23-24,26,35H,2-8,11-22,25H2,1H3,(H,36,37)(H2,30,31,32)/b10-9-/t26-/m0/s1

InChIKey

WBBHPTYJRUGMQP-IMHHWWNFSA-N

Compound name

[(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-[3-[(Z)-heptadec-8-enoxy]propoxy]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]+	598.37282	250.8
[M+Na]+	620.35476	249.1
[M-H]-	596.35826	243.4
[M+NH4]+	615.39936	249.2
[M+K]+	636.32870	244.4
[M+H-H2O]+	580.36280	236.5
[M+HCOO]-	642.36374	266.1
[M+CH3COO]-	656.37939	257.9
[M+Na-2H]-	618.34021	245.4
[M]+	597.36499	261.7
[M]-	597.36609	261.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

598.37282

250.8

[M+Na]+

620.35476

249.1

[M-H]-

596.35826

243.4

[M+NH4]+

615.39936

249.2

[M+K]+

636.32870

244.4

[M+H-H2O]+

580.36280

236.5

[M+HCOO]-

642.36374

266.1

[M+CH3COO]-

656.37939

257.9

[M+Na-2H]-

618.34021

245.4

[M]+

597.36499

261.7

[M]-

597.36609

261.7

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

Olp-hpmpa

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe