CID 16684674

1,3-propanediamine, n,n''-((tetrahydro-4h-1,3,6,2-dithiazagermocin-2-ylidene)bis(thio-2,1-ethanediyl)bis-, pentahydrochloride

Structural Information

Molecular Formula
C14H35GeN5S4
SMILES
C1CS[Ge](SCCN1)(SCCNCCCN)SCCNCCCN
InChI
InChI=1S/C14H35GeN5S4/c16-3-1-5-18-7-11-21-15(22-12-8-19-6-2-4-17)23-13-9-20-10-14-24-15/h18-20H,1-14,16-17H2
InChIKey
PYQMHIDWQWKEIT-UHFFFAOYSA-N
Compound name
N'-[2-[[2-[2-(3-aminopropylamino)ethylsulfanyl]-1,3,6,2-dithiazagermocan-2-yl]sulfanyl]ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.0987 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.10598 150.3
[M+Na]+ 498.08792 150.7
[M+NH4]+ 493.13252 152.6
[M+K]+ 514.06186 148.7
[M-H]- 474.09142 150.9
[M+Na-2H]- 496.07337 152.6
[M]+ 475.09815 150.8
[M]- 475.09925 150.8
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.