PubChemLite - 1-[6-amino-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-3-yl]-3-ethyl-urea (C22H45N3O7SSi2)

Structural Information

Molecular Formula

SMILES

CCNC(=O)NC1C(C2(C(O1)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C22H45N3O7SSi2/c1-12-24-19(26)25-18-17(31-35(10,11)21(5,6)7)22(15(23)14-33(27,28)32-22)16(30-18)13-29-34(8,9)20(2,3)4/h14,16-18H,12-13,23H2,1-11H3,(H2,24,25,26)

InChIKey

BJNUUEFSMLRHQT-UHFFFAOYSA-N

Compound name

1-[4-amino-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-8-yl]-3-ethylurea

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]+	552.25893	217.4
[M+Na]+	574.24087	219.5
[M-H]-	550.24437	222.2
[M+NH4]+	569.28547	228.3
[M+K]+	590.21481	222.1
[M+H-H2O]+	534.24891	216.6
[M+HCOO]-	596.24985	225.5
[M+CH3COO]-	610.26550	248.8
[M+Na-2H]-	572.22632	224.6
[M]+	551.25110	225.5
[M]-	551.25220	225.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.25893

217.4

[M+Na]+

574.24087

219.5

[M-H]-

550.24437

222.2

[M+NH4]+

569.28547

228.3

[M+K]+

590.21481

222.1

[M+H-H2O]+

534.24891

216.6

[M+HCOO]-

596.24985

225.5

[M+CH3COO]-

610.26550

248.8

[M+Na-2H]-

572.22632

224.6

[M]+

551.25110

225.5

[M]-

551.25220

225.5

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

1-[6-amino-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-3-yl]-3-ethyl-urea

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe