CID 3063972

Morpholinium, 4,4'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(4-methyl-, diiodide

Structural Information

Molecular Formula
C22H38N2O6
SMILES
C[N+]1(CCOCC1)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCOCC3)C)O)O
InChI
InChI=1S/C22H38N2O6/c1-23(6-10-27-11-7-23)15-19(25)17-29-21-4-3-5-22(14-21)30-18-20(26)16-24(2)8-12-28-13-9-24/h3-5,14,19-20,25-26H,6-13,15-18H2,1-2H3/q+2
InChIKey
SJSBYCZCDCFHSM-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propoxy]phenoxy]-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.27298 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.28026 201.3
[M+Na]+ 449.26220 213.2
[M+NH4]+ 444.30680 210.4
[M+K]+ 465.23614 206.5
[M-H]- 425.26570 208.9
[M+Na-2H]- 447.24765 208.2
[M]+ 426.27243 205.9
[M]- 426.27353 205.9
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.