CID 6444765

1,1'-(vinylenebis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpiperidinium) diiodide

Structural Information

Molecular Formula
C22H40N2O4
SMILES
C[N+]1(CCCCC1)CC2COC(O2)/C=C/C3OCC(O3)C[N+]4(CCCCC4)C
InChI
InChI=1S/C22H40N2O4/c1-23(11-5-3-6-12-23)15-19-17-25-21(27-19)9-10-22-26-18-20(28-22)16-24(2)13-7-4-8-14-24/h9-10,19-22H,3-8,11-18H2,1-2H3/q+2/b10-9+
InChIKey
KRLPCHIOPFHQBJ-MDZDMXLPSA-N
Compound name
1-methyl-1-[[2-[(E)-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2988 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.30608 195.4
[M+Na]+ 419.28802 206.5
[M+NH4]+ 414.33262 206.3
[M+K]+ 435.26196 202.3
[M-H]- 395.29152 207.5
[M+Na-2H]- 417.27347 200.3
[M]+ 396.29825 201.2
[M]- 396.29935 201.2
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.