PubChemLite - 3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine (C19H38N4O6SSi2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H38N4O6SSi2/c1-17(2,3)31(7,8)26-11-14-19(13(20)12-30(24,25)29-19)15(16(27-14)22-23-21)28-32(9,10)18(4,5)6/h12,14-16H,11,20H2,1-10H3

InChIKey

FVODJODETWNBMC-UHFFFAOYSA-N

Compound name

8-azido-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-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]+	507.21233	206.1
[M+Na]+	529.19427	209.6
[M-H]-	505.19777	214.0
[M+NH4]+	524.23887	219.3
[M+K]+	545.16821	206.8
[M+H-H2O]+	489.20231	208.6
[M+HCOO]-	551.20325	220.2
[M+CH3COO]-	565.21890	237.3
[M+Na-2H]-	527.17972	219.8
[M]+	506.20450	211.1
[M]-	506.20560	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.21233

206.1

[M+Na]+

529.19427

209.6

[M-H]-

505.19777

214.0

[M+NH4]+

524.23887

219.3

[M+K]+

545.16821

206.8

[M+H-H2O]+

489.20231

208.6

[M+HCOO]-

551.20325

220.2

[M+CH3COO]-

565.21890

237.3

[M+Na-2H]-

527.17972

219.8

[M]+

506.20450

211.1

[M]-

506.20560

211.1

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

3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe