CID 16684676

1,3-propanediamine, n,n'',n'''',n'''''',n'''''''',n''''''''''-(1,3,5,2,4,6-trigermin-2,4,6-triylidenehexakis(thio-2,1-ethanediyl))hexakis-, dodecahydrochloride

Structural Information

Molecular Formula
C30H78Ge3N12O3S6
SMILES
C(CN)CNCCS[Ge]1(O[Ge](O[Ge](O1)(SCCNCCCN)SCCNCCCN)(SCCNCCCN)SCCNCCCN)SCCNCCCN
InChI
InChI=1S/C30H78Ge3N12O3S6/c34-7-1-13-40-19-25-49-31(50-26-20-41-14-2-8-35)46-32(51-27-21-42-15-3-9-36,52-28-22-43-16-4-10-37)48-33(47-31,53-29-23-44-17-5-11-38)54-30-24-45-18-6-12-39/h40-45H,1-30,34-39H2
InChIKey
WAXXJVNIQJGYOO-UHFFFAOYSA-N
Compound name
N'-[2-[[2,4,4,6,6-pentakis[2-(3-aminopropylamino)ethylsulfanyl]-1,3,5,2,4,6-trioxatrigerminan-2-yl]sulfanyl]ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1068.2279 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1069.2352 297.1
[M+Na]+ 1091.2171 304.6
[M-H]- 1067.2206 294.8
[M+NH4]+ 1086.2617 301.6
[M+K]+ 1107.1911 305.5
[M+H-H2O]+ 1051.2252 293.0
[M+HCOO]- 1113.2261 301.3
[M+CH3COO]- 1127.2418 310.3
[M+Na-2H]- 1089.2026 328.8
[M]+ 1068.2274 333.3
[M]- 1068.2284 333.3
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.