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 204.5
[M+Na]+ 449.26220 202.8
[M-H]- 425.26570 207.6
[M+NH4]+ 444.30680 209.5
[M+K]+ 465.23614 191.9
[M+H-H2O]+ 409.27024 199.2
[M+HCOO]- 471.27118 209.2
[M+CH3COO]- 485.28683 206.0
[M+Na-2H]- 447.24765 209.8
[M]+ 426.27243 198.6
[M]- 426.27353 198.6
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.