CID 204959

Ammonium, (p-phenylenebis(oxy-2-butynylene))bis(triethyl-, diiodide

Structural Information

Molecular Formula
C26H42N2O2
SMILES
CC[N+](CC)(CC)CC#CCOC1=CC=C(C=C1)OCC#CC[N+](CC)(CC)CC
InChI
InChI=1S/C26H42N2O2/c1-7-27(8-2,9-3)21-13-15-23-29-25-17-19-26(20-18-25)30-24-16-14-22-28(10-4,11-5)12-6/h17-20H,7-12,21-24H2,1-6H3/q+2
InChIKey
DZRMUZCAYRMVJK-UHFFFAOYSA-N
Compound name
triethyl-[4-[4-[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.32462 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.33190 208.2
[M+Na]+ 437.31384 217.1
[M+NH4]+ 432.35844 208.7
[M+K]+ 453.28778 206.1
[M-H]- 413.31734 199.7
[M+Na-2H]- 435.29929 206.7
[M]+ 414.32407 206.4
[M]- 414.32517 206.4
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.