CID 54015

Ammonium, 11,11,18,18-tetraethyl-11,18-diazoniaoctacosylenebis(triethyl-, tetraiodide

Structural Information

Molecular Formula
C46H102N4
SMILES
CC[N+](CC)(CC)CCCCCCCCCC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CCCCCCCCCC[N+](CC)(CC)CC
InChI
InChI=1S/C46H102N4/c1-11-47(12-2,13-3)41-35-29-25-21-23-27-31-37-43-49(17-7,18-8)45-39-33-34-40-46-50(19-9,20-10)44-38-32-28-24-22-26-30-36-42-48(14-4,15-5)16-6/h11-46H2,1-10H3/q+4
InChIKey
PLINAQJQGYSNAN-UHFFFAOYSA-N
Compound name
6-[diethyl-[10-(triethylazaniumyl)decyl]azaniumyl]hexyl-diethyl-[10-(triethylazaniumyl)decyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

710.8104 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.81768 363.8
[M+Na]+ 733.79962 366.8
[M-H]- 709.80312 358.6
[M+NH4]+ 728.84422 365.3
[M+K]+ 749.77356 367.1
[M+H-H2O]+ 693.80766 337.6
[M+HCOO]- 755.80860 381.2
[M+CH3COO]- 769.82425 286.7
[M+Na-2H]- 731.78507 340.2
[M]+ 710.80985 357.9
[M]- 710.81095 357.9
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.