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 159.5
[M+Na]+ 498.08792 160.6
[M-H]- 474.09142 156.8
[M+NH4]+ 493.13252 163.2
[M+K]+ 514.06186 156.5
[M+H-H2O]+ 458.09596 155.3
[M+HCOO]- 520.09690 157.5
[M+CH3COO]- 534.11255 241.5
[M+Na-2H]- 496.07337 159.0
[M]+ 475.09815 155.8
[M]- 475.09925 155.8
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.