CID 16684678

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

Structural Information

Molecular Formula
C11H25GeN3S4
SMILES
C1CS[Ge]2(SCCN1CCS2)SCCNCCCN
InChI
InChI=1S/C11H25GeN3S4/c13-2-1-3-14-4-8-16-12-17-9-5-15(6-10-18-12)7-11-19-12/h14H,1-11,13H2
InChIKey
RQSWJHPTHSPBPC-UHFFFAOYSA-N
Compound name
N'-[2-(2,8,9-trithia-5-aza-1-germabicyclo[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

401.0143 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.02158 114.3
[M+Na]+ 424.00352 114.4
[M-H]- 400.00702 114.3
[M+NH4]+ 419.04812 114.4
[M+K]+ 439.97746 114.4
[M+H-H2O]+ 384.01156 114.3
[M+HCOO]- 446.01250 114.3
[M+CH3COO]- 460.02815 114.3
[M+Na-2H]- 421.98897 114.2
[M]+ 401.01375 114.3
[M]- 401.01485 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.