CID 3055497

1,1'-(2,5-thiophenediylbis(dimethylsilylene))silatrane

Structural Information

Molecular Formula
C24H46N2O6SSi4
SMILES
C[Si](=C(C[Si]12OCCN(CCO1)CCO2)C3CCC(S3)C(=[Si](C)C)C[Si]45OCCN(CCO4)CCO5)C
InChI
InChI=1S/C24H46N2O6SSi4/c1-34(2)23(19-36-27-13-7-25(8-14-28-36)9-15-29-36)21-5-6-22(33-21)24(35(3)4)20-37-30-16-10-26(11-17-31-37)12-18-32-37/h21-22H,5-20H2,1-4H3
InChIKey
GEYRXQKYFANIPK-UHFFFAOYSA-N
Compound name
[1-[5-[1-dimethylsilylidene-2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)ethyl]thiolan-2-yl]-2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)ethylidene]-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.2154 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.22268 112.8
[M+Na]+ 625.20462 112.8
[M-H]- 601.20812 112.8
[M+NH4]+ 620.24922 112.8
[M+K]+ 641.17856 112.8
[M+H-H2O]+ 585.21266 112.8
[M+HCOO]- 647.21360 112.8
[M+CH3COO]- 661.22925 112.8
[M+Na-2H]- 623.19007 112.8
[M]+ 602.21485 112.8
[M]- 602.21595 112.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.