CID 16684701

2,8,9-trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((2-((3-aminopropyl)amino)ethyl)thio)-

Structural Information

Molecular Formula
C11H25GeN3O3S
SMILES
C1CO[Ge]2(OCCN1CCO2)SCCNCCCN
InChI
InChI=1S/C11H25GeN3O3S/c13-2-1-3-14-4-11-19-12-16-8-5-15(6-9-17-12)7-10-18-12/h14H,1-11,13H2
InChIKey
QNYSPEWIAPEDTF-UHFFFAOYSA-N
Compound name
N'-[2-(2,8,9-trioxa-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

353.08286 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09014 114.6
[M+Na]+ 376.07208 114.7
[M-H]- 352.07558 114.6
[M+NH4]+ 371.11668 114.6
[M+K]+ 392.04602 114.7
[M+H-H2O]+ 336.08012 114.5
[M+HCOO]- 398.08106 114.6
[M+CH3COO]- 412.09671 114.6
[M+Na-2H]- 374.05753 114.5
[M]+ 353.08231 114.6
[M]- 353.08341 114.6
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.