PubChemLite - Chembl5095656 (C29H52N5O5PSi)

Structural Information

Molecular Formula

SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OCCCOCCCCCCCCCCCCC#C[Si](C)(C)C

InChI

InChI=1S/C29H52N5O5PSi/c1-26(22-34-24-33-27-28(30)31-23-32-29(27)34)38-25-40(35,36)39-20-17-19-37-18-15-13-11-9-7-5-6-8-10-12-14-16-21-41(2,3)4/h23-24,26H,5-15,17-20,22,25H2,1-4H3,(H,35,36)(H2,30,31,32)/t26-/m1/s1

InChIKey

RBMKTGQWOZJFMD-AREMUKBSSA-N

Compound name

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[3-(14-trimethylsilyltetradec-13-ynoxy)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]+	610.35481	242.8
[M+Na]+	632.33675	243.4
[M-H]-	608.34025	234.7
[M+NH4]+	627.38135	241.3
[M+K]+	648.31069	239.0
[M+H-H2O]+	592.34479	222.9
[M+HCOO]-	654.34573	251.7
[M+CH3COO]-	668.36138	259.7
[M+Na-2H]-	630.32220	237.6
[M]+	609.34698	246.5
[M]-	609.34808	246.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

610.35481

242.8

[M+Na]+

632.33675

243.4

[M-H]-

608.34025

234.7

[M+NH4]+

627.38135

241.3

[M+K]+

648.31069

239.0

[M+H-H2O]+

592.34479

222.9

[M+HCOO]-

654.34573

251.7

[M+CH3COO]-

668.36138

259.7

[M+Na-2H]-

630.32220

237.6

[M]+

609.34698

246.5

[M]-

609.34808

246.5

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

Chembl5095656

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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