CID 58248

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

Structural Information

Molecular Formula
C24H46N2O4
SMILES
CC[N+](CC)(CC)CC(COC1=CC=C(C=C1)OCC(C[N+](CC)(CC)CC)O)O
InChI
InChI=1S/C24H46N2O4/c1-7-25(8-2,9-3)17-21(27)19-29-23-13-15-24(16-14-23)30-20-22(28)18-26(10-4,11-5)12-6/h13-16,21-22,27-28H,7-12,17-20H2,1-6H3/q+2
InChIKey
YGYWCIIGZGPXIL-UHFFFAOYSA-N
Compound name
triethyl-[2-hydroxy-3-[4-[2-hydroxy-3-(triethylazaniumyl)propoxy]phenoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.34576 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.35304 227.1
[M+Na]+ 449.33498 232.0
[M+NH4]+ 444.37958 233.8
[M+K]+ 465.30892 235.9
[M-H]- 425.33848 221.2
[M+Na-2H]- 447.32043 218.9
[M]+ 426.34521 227.6
[M]- 426.34631 227.6
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.