CID 206912

28866-36-6

Structural Information

Molecular Formula
C24H42N2O2
SMILES
CCC(=O)OC1(CC([N+](CC1(C)C[N+](C)(CC)CC)(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C24H42N2O2/c1-9-22(27)28-24(21-15-13-12-14-16-21)17-20(4)25(6,7)18-23(24,5)19-26(8,10-2)11-3/h12-16,20H,9-11,17-19H2,1-8H3/q+2
InChIKey
KNLFTVMYXKPUFJ-UHFFFAOYSA-N
Compound name
diethyl-methyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxypiperidin-1-ium-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.32462 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.33190 191.1
[M+Na]+ 413.31384 195.4
[M-H]- 389.31734 197.1
[M+NH4]+ 408.35844 207.6
[M+K]+ 429.28778 182.4
[M+H-H2O]+ 373.32188 189.6
[M+HCOO]- 435.32282 206.0
[M+CH3COO]- 449.33847 215.6
[M+Na-2H]- 411.29929 198.8
[M]+ 390.32407 191.0
[M]- 390.32517 191.0
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.