PubChemLite - Hdp-ppen-g (C29H52N5O5P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(CC/C=C\CN1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C29H52N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-38-22-19-23-39-40(36,37)24-18-15-16-20-34-25-31-26-27(34)32-29(30)33-28(26)35/h15-16,25H,2-14,17-24H2,1H3,(H,36,37)(H3,30,32,33,35)/b16-15-

InChIKey

OZLWMPKTSNGXNF-NXVVXOECSA-N

Compound name

[(Z)-5-(2-amino-6-oxo-1H-purin-9-yl)pent-3-enyl]-(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]+	582.37788	249.9
[M+Na]+	604.35982	250.0
[M-H]-	580.36332	242.6
[M+NH4]+	599.40442	249.3
[M+K]+	620.33376	243.1
[M+H-H2O]+	564.36786	235.8
[M+HCOO]-	626.36880	266.0
[M+CH3COO]-	640.38445	255.9
[M+Na-2H]-	602.34527	244.1
[M]+	581.37005	259.7
[M]-	581.37115	259.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

582.37788

249.9

[M+Na]+

604.35982

250.0

[M-H]-

580.36332

242.6

[M+NH4]+

599.40442

249.3

[M+K]+

620.33376

243.1

[M+H-H2O]+

564.36786

235.8

[M+HCOO]-

626.36880

266.0

[M+CH3COO]-

640.38445

255.9

[M+Na-2H]-

602.34527

244.1

[M]+

581.37005

259.7

[M]-

581.37115

259.7

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

Hdp-ppen-g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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