CID 204957

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

Structural Information

Molecular Formula
C24H38N2O2
SMILES
CC[N+](C)(CC)CC#CCOC1=CC=C(C=C1)OCC#CC[N+](C)(CC)CC
InChI
InChI=1S/C24H38N2O2/c1-7-25(5,8-2)19-11-13-21-27-23-15-17-24(18-16-23)28-22-14-12-20-26(6,9-3)10-4/h15-18H,7-10,19-22H2,1-6H3/q+2
InChIKey
PBZZCBKSBJYJDL-UHFFFAOYSA-N
Compound name
4-[4-[4-[diethyl(methyl)azaniumyl]but-2-ynoxy]phenoxy]but-2-ynyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.29333 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.30061 202.6
[M+Na]+ 409.28255 211.8
[M+NH4]+ 404.32715 203.4
[M+K]+ 425.25649 201.1
[M-H]- 385.28605 194.2
[M+Na-2H]- 407.26800 201.5
[M]+ 386.29278 200.9
[M]- 386.29388 200.9
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.