PubChemLite - Chembl135453 (C36H41N5O3Si)

Structural Information

Molecular Formula

SMILES

CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)COCCO[Si](C)(C)C(C)(C)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H41N5O3Si/c1-26-31(36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29)41-33(42)30-32(39-34(41)38-26)40(24-37-30)25-43-22-23-44-45(5,6)35(2,3)4/h7-21,24H,22-23,25H2,1-6H3,(H,38,39)

InChIKey

NZKZENPEJYDUIZ-UHFFFAOYSA-N

Compound name

3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-7-trityl-5H-imidazo[1,2-a]purin-9-one

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]+	620.30513	256.7
[M+Na]+	642.28707	262.6
[M-H]-	618.29057	264.7
[M+NH4]+	637.33167	256.4
[M+K]+	658.26101	254.7
[M+H-H2O]+	602.29511	243.7
[M+HCOO]-	664.29605	265.5
[M+CH3COO]-	678.31170	260.5
[M+Na-2H]-	640.27252	258.0
[M]+	619.29730	262.8
[M]-	619.29840	262.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

620.30513

256.7

[M+Na]+

642.28707

262.6

[M-H]-

618.29057

264.7

[M+NH4]+

637.33167

256.4

[M+K]+

658.26101

254.7

[M+H-H2O]+

602.29511

243.7

[M+HCOO]-

664.29605

265.5

[M+CH3COO]-

678.31170

260.5

[M+Na-2H]-

640.27252

258.0

[M]+

619.29730

262.8

[M]-

619.29840

262.8

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

Chembl135453

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe