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 207.6
[M+Na]+ 449.33498 207.3
[M-H]- 425.33848 209.5
[M+NH4]+ 444.37958 224.7
[M+K]+ 465.30892 194.6
[M+H-H2O]+ 409.34302 205.1
[M+HCOO]- 471.34396 241.6
[M+CH3COO]- 485.35961 223.8
[M+Na-2H]- 447.32043 213.1
[M]+ 426.34521 211.4
[M]- 426.34631 211.4
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.