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]+ 427.353036 207.6
[M+Na]+ 449.334978 207.3
[M-H]- 425.338484 209.5
[M+NH4]+ 444.379583 224.7
[M+K]+ 465.308918 194.6
[M+H-H2O]+ 409.343020 205.1
[M+HCOO]- 471.343961 241.6
[M+CH3COO]- 485.359611 223.8
[M+Na-2H]- 447.320426 213.1
[M]+ 426.34521142 211.4
[M]- 426.34630858 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.