PubChemLite - Tsao-pur deriv. (C24H41N5O6SSi2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=CN=CN=C43)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

InChI

InChI=1S/C24H41N5O6SSi2/c1-22(2,3)37(7,8)32-12-18-24(17(25)13-36(30,31)35-24)19(34-38(9,10)23(4,5)6)21(33-18)29-15-28-16-11-26-14-27-20(16)29/h11,13-15,18-19,21H,12,25H2,1-10H3/t18-,19+,21-,24?/m1/s1

InChIKey

FQCBMIPEJVYDHJ-FVYFYLNTSA-N

Compound name

(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-8-purin-9-yl-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine

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]+	584.23888	231.2
[M+Na]+	606.22082	238.9
[M-H]-	582.22432	238.3
[M+NH4]+	601.26542	239.5
[M+K]+	622.19476	240.5
[M+H-H2O]+	566.22886	228.8
[M+HCOO]-	628.22980	236.4
[M+CH3COO]-	642.24545	248.1
[M+Na-2H]-	604.20627	236.0
[M]+	583.23105	242.5
[M]-	583.23215	242.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

584.23888

231.2

[M+Na]+

606.22082

238.9

[M-H]-

582.22432

238.3

[M+NH4]+

601.26542

239.5

[M+K]+

622.19476

240.5

[M+H-H2O]+

566.22886

228.8

[M+HCOO]-

628.22980

236.4

[M+CH3COO]-

642.24545

248.1

[M+Na-2H]-

604.20627

236.0

[M]+

583.23105

242.5

[M]-

583.23215

242.5

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

Tsao-pur deriv.

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe