PubChemLite - 4,7-diamino-1,8-dioxa-6-(1,1,2,2-tetramethyl-1-silapropoxy)-9-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-2-thiaspiro[4.4]non-3-ene-2,2-dione (C19H40N2O6SSi2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

InChI

InChI=1S/C19H40N2O6SSi2/c1-17(2,3)29(7,8)24-11-14-19(13(20)12-28(22,23)27-19)15(16(21)25-14)26-30(9,10)18(4,5)6/h12,14-16H,11,20-21H2,1-10H3

InChIKey

YEZMXKFSLBKTJE-UHFFFAOYSA-N

Compound name

9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-ene-4,8-diamine

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]+	481.22185	201.3
[M+Na]+	503.20379	206.1
[M-H]-	479.20729	206.4
[M+NH4]+	498.24839	215.5
[M+K]+	519.17773	207.9
[M+H-H2O]+	463.21183	201.0
[M+HCOO]-	525.21277	209.6
[M+CH3COO]-	539.22842	233.5
[M+Na-2H]-	501.18924	207.8
[M]+	480.21402	208.4
[M]-	480.21512	208.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.22185

201.3

[M+Na]+

503.20379

206.1

[M-H]-

479.20729

206.4

[M+NH4]+

498.24839

215.5

[M+K]+

519.17773

207.9

[M+H-H2O]+

463.21183

201.0

[M+HCOO]-

525.21277

209.6

[M+CH3COO]-

539.22842

233.5

[M+Na-2H]-

501.18924

207.8

[M]+

480.21402

208.4

[M]-

480.21512

208.4

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

4,7-diamino-1,8-dioxa-6-(1,1,2,2-tetramethyl-1-silapropoxy)-9-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-2-thiaspiro[4.4]non-3-ene-2,2-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe