CID 58731

Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(diethylmethyl-, diiodide

Structural Information

Molecular Formula
C22H42N2O4
SMILES
CC[N+](C)(CC)CC(COC1=CC(=CC=C1)OCC(C[N+](C)(CC)CC)O)O
InChI
InChI=1S/C22H42N2O4/c1-7-23(5,8-2)15-19(25)17-27-21-12-11-13-22(14-21)28-18-20(26)16-24(6,9-3)10-4/h11-14,19-20,25-26H,7-10,15-18H2,1-6H3/q+2
InChIKey
RRIRIVMFPALYGY-UHFFFAOYSA-N
Compound name
[3-[3-[3-[diethyl(methyl)azaniumyl]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.31445 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32173 219.7
[M+Na]+ 421.30367 225.0
[M+NH4]+ 416.34827 226.7
[M+K]+ 437.27761 229.2
[M-H]- 397.30717 200.8
[M+Na-2H]- 419.28912 201.6
[M]+ 398.31390 220.4
[M]- 398.31500 220.4
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.