CID 203922

4,4'-(ethylenebis(1,3-dioxolane-2,4-diylmethylene))bis(4-methylmorpholinium) diiodide

Structural Information

Molecular Formula
C20H38N2O6
SMILES
C[N+]1(CCOCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCOCC4)C
InChI
InChI=1S/C20H38N2O6/c1-21(5-9-23-10-6-21)13-17-15-25-19(27-17)3-4-20-26-16-18(28-20)14-22(2)7-11-24-12-8-22/h17-20H,3-16H2,1-2H3/q+2
InChIKey
AXJKVKSCIAJEPD-UHFFFAOYSA-N
Compound name
4-methyl-4-[[2-[2-[4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.27298 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28026 191.9
[M+Na]+ 425.26220 203.0
[M+NH4]+ 420.30680 201.9
[M+K]+ 441.23614 201.0
[M-H]- 401.26570 205.6
[M+Na-2H]- 423.24765 195.5
[M]+ 402.27243 198.2
[M]- 402.27353 198.2
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.