CID 3059476

Brn 3568649

Structural Information

Molecular Formula
C17H25NO3S2Si2
SMILES
C[Si](CC[Si]12OCCN(CCO1)CCO2)(C3=CC=CS3)C4=CC=CS4
InChI
InChI=1S/C17H25NO3S2Si2/c1-24(16-4-2-12-22-16,17-5-3-13-23-17)14-15-25-19-9-6-18(7-10-20-25)8-11-21-25/h2-5,12-13H,6-11,14-15H2,1H3
InChIKey
SVQDGULQGBYUMJ-UHFFFAOYSA-N
Compound name
methyl-dithiophen-2-yl-[2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)ethyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.08145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.08873 114.9
[M+Na]+ 434.07067 114.9
[M-H]- 410.07417 114.9
[M+NH4]+ 429.11527 114.9
[M+K]+ 450.04461 114.9
[M+H-H2O]+ 394.07871 114.8
[M+HCOO]- 456.07965 114.8
[M+CH3COO]- 470.09530 114.8
[M+Na-2H]- 432.05612 114.7
[M]+ 411.08090 114.8
[M]- 411.08200 114.8
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.