CID 204955

Ammonium, (m-phenylenebis(oxy-2-butynylene))bis(ethyldimethyl-, diiodide

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CC[N+](C)(C)CC#CCOC1=CC=C(C=C1)OCC#CC[N+](C)(C)CC
InChI
InChI=1S/C22H34N2O2/c1-7-23(3,4)17-9-11-19-25-21-13-15-22(16-14-21)26-20-12-10-18-24(5,6)8-2/h13-16H,7-8,17-20H2,1-6H3/q+2
InChIKey
VVPIHWXRYZHVEV-UHFFFAOYSA-N
Compound name
ethyl-[4-[4-[4-[ethyl(dimethyl)azaniumyl]but-2-ynoxy]phenoxy]but-2-ynyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 198.4
[M+Na]+ 381.25124 205.3
[M-H]- 357.25474 201.5
[M+NH4]+ 376.29584 207.1
[M+K]+ 397.22518 193.9
[M+H-H2O]+ 341.25928 186.7
[M+HCOO]- 403.26022 206.5
[M+CH3COO]- 417.27587 228.3
[M+Na-2H]- 379.23669 200.6
[M]+ 358.26147 192.0
[M]- 358.26257 192.0
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.