CID 46033

Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide

Structural Information

Molecular Formula
C18H34N2
SMILES
CC[N+](C)(C)CCCCC1=CC=C(C=C1)[N+](C)(C)CC
InChI
InChI=1S/C18H34N2/c1-7-19(3,4)16-10-9-11-17-12-14-18(15-13-17)20(5,6)8-2/h12-15H,7-11,16H2,1-6H3/q+2
InChIKey
BUNQDPXDLUTISX-UHFFFAOYSA-N
Compound name
ethyl-[4-[4-[ethyl(dimethyl)azaniumyl]butyl]phenyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 169.4
[M+Na]+ 301.26142 184.3
[M+NH4]+ 296.30602 180.1
[M+K]+ 317.23536 177.4
[M-H]- 277.26492 176.6
[M+Na-2H]- 299.24687 178.3
[M]+ 278.27165 174.6
[M]- 278.27275 174.6
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.