CID 218662

41040-74-8

Structural Information

Molecular Formula
C23H44N2O4
SMILES
CC1(OCC(O1)C[N+]2(CCCCC2)C)CCC3OCC(O3)C[N+]4(CCCCC4)C
InChI
InChI=1S/C23H44N2O4/c1-23(27-19-21(29-23)17-25(3)14-8-5-9-15-25)11-10-22-26-18-20(28-22)16-24(2)12-6-4-7-13-24/h20-22H,4-19H2,1-3H3/q+2
InChIKey
NDPOCSDHMWXBJF-UHFFFAOYSA-N
Compound name
1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.3301 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.33738 198.7
[M+Na]+ 435.31932 197.7
[M-H]- 411.32282 207.8
[M+NH4]+ 430.36392 208.6
[M+K]+ 451.29326 188.7
[M+H-H2O]+ 395.32736 195.4
[M+HCOO]- 457.32830 203.1
[M+CH3COO]- 471.34395 208.0
[M+Na-2H]- 433.30477 200.5
[M]+ 412.32955 190.6
[M]- 412.33065 190.6
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.