CID 4276941

Dtxsid20893835

Structural Information

Molecular Formula
C18H36N2O6S2Si2
SMILES
C1CO[Si]2(OCCN1CCO2)CCCSSCCC[Si]34OCCN(CCO3)CCO4
InChI
InChI=1S/C18H36N2O6S2Si2/c1(17-29-21-9-3-19(4-10-22-29)5-11-23-29)15-27-28-16-2-18-30-24-12-6-20(7-13-25-30)8-14-26-30/h1-18H2
InChIKey
JPSITVNBUQSBEV-UHFFFAOYSA-N
Compound name
1-[3-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyldisulfanyl]propyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

496.15533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.16261 112.8
[M+Na]+ 519.14455 112.8
[M-H]- 495.14805 112.8
[M+NH4]+ 514.18915 112.8
[M+K]+ 535.11849 112.8
[M+H-H2O]+ 479.15259 112.8
[M+HCOO]- 541.15353 112.8
[M+CH3COO]- 555.16918 112.8
[M+Na-2H]- 517.13000 112.8
[M]+ 496.15478 112.8
[M]- 496.15588 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

patents stripe