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 194.5
[M+Na]+ 425.26220 193.6
[M-H]- 401.26570 204.7
[M+NH4]+ 420.30680 199.9
[M+K]+ 441.23614 187.5
[M+H-H2O]+ 385.27024 192.6
[M+HCOO]- 447.27118 198.0
[M+CH3COO]- 461.28683 205.6
[M+Na-2H]- 423.24765 197.7
[M]+ 402.27243 188.9
[M]- 402.27353 188.9
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.