CID 53976

Ammonium, 7,14-diethyl-7,14-dimethyl-7,14-diazoniaeicosylenebis(diethylmethyl-, tetraiodide

Structural Information

Molecular Formula
C34H78N4
SMILES
CC[N+](C)(CC)CCCCCC[N+](C)(CC)CCCCCC[N+](C)(CC)CCCCCC[N+](C)(CC)CC
InChI
InChI=1S/C34H78N4/c1-11-35(7,12-2)29-23-17-19-25-31-37(9,15-5)33-27-21-22-28-34-38(10,16-6)32-26-20-18-24-30-36(8,13-3)14-4/h11-34H2,1-10H3/q+4
InChIKey
XMUHSCPAKWLKPR-UHFFFAOYSA-N
Compound name
6-[diethyl(methyl)azaniumyl]hexyl-[6-[6-[diethyl(methyl)azaniumyl]hexyl-ethyl-methylazaniumyl]hexyl]-ethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.6226 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.62988 327.8
[M+Na]+ 565.61182 333.3
[M-H]- 541.61532 326.4
[M+NH4]+ 560.65642 329.7
[M+K]+ 581.58576 328.9
[M+H-H2O]+ 525.61986 302.8
[M+HCOO]- 587.62080 349.4
[M+CH3COO]- 601.63645 256.0
[M+Na-2H]- 563.59727 308.9
[M]+ 542.62205 323.5
[M]- 542.62315 323.5
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.