CID 46880

Ammonium, (1,4-phenylenebis(oxyethylene))bis(diethylmethyl-, diiodide

Structural Information

Molecular Formula
C20H38N2O2
SMILES
CC[N+](C)(CC)CCOC1=CC=C(C=C1)OCC[N+](C)(CC)CC
InChI
InChI=1S/C20H38N2O2/c1-7-21(5,8-2)15-17-23-19-11-13-20(14-12-19)24-18-16-22(6,9-3)10-4/h11-14H,7-10,15-18H2,1-6H3/q+2
InChIKey
PATAQTCEXUZPCV-UHFFFAOYSA-N
Compound name
2-[4-[2-[diethyl(methyl)azaniumyl]ethoxy]phenoxy]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.29333 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.30061 184.7
[M+Na]+ 361.28255 187.9
[M-H]- 337.28605 190.1
[M+NH4]+ 356.32715 199.3
[M+K]+ 377.25649 175.7
[M+H-H2O]+ 321.29059 182.6
[M+HCOO]- 383.29153 206.6
[M+CH3COO]- 397.30718 212.8
[M+Na-2H]- 359.26800 194.6
[M]+ 338.29278 189.5
[M]- 338.29388 189.5
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.