CID 3078045

1,3-propanediamine, n-(2-(2,8,9-trithia-5-aza-1-silabicyclo(3.3.3)undec-1-ylthio)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C11H25N3S4Si
SMILES
C1CS[Si]2(SCCN1CCS2)SCCNCCCN
InChI
InChI=1S/C11H25N3S4Si/c12-2-1-3-13-4-8-15-19-16-9-5-14(6-10-17-19)7-11-18-19/h13H,1-12H2
InChIKey
DRTSPOLYIWJPMV-UHFFFAOYSA-N
Compound name
N'-[2-(2,8,9-trithia-5-aza-1-silabicyclo[3.3.3]undecan-1-ylsulfanyl)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.07007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07735 114.3
[M+Na]+ 378.05929 114.4
[M-H]- 354.06279 114.3
[M+NH4]+ 373.10389 114.3
[M+K]+ 394.03323 114.4
[M+H-H2O]+ 338.06733 114.3
[M+HCOO]- 400.06827 114.3
[M+CH3COO]- 414.08392 114.3
[M+Na-2H]- 376.04474 114.2
[M]+ 355.06952 114.3
[M]- 355.07062 114.3
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.