CID 206908

28866-33-3

Structural Information

Molecular Formula
C22H38N2O2
SMILES
CCC(=O)OC1(CC([N+](CC1(C)C[N+](C)(C)C)(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C22H38N2O2/c1-9-20(25)26-22(19-13-11-10-12-14-19)15-18(2)24(7,8)17-21(22,3)16-23(4,5)6/h10-14,18H,9,15-17H2,1-8H3/q+2
InChIKey
RYIOOJJMERPRFX-UHFFFAOYSA-N
Compound name
trimethyl-[(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

362.29333 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.30061 184.4
[M+Na]+ 385.28255 199.0
[M+NH4]+ 380.32715 197.7
[M+K]+ 401.25649 188.2
[M-H]- 361.28605 191.3
[M+Na-2H]- 383.26800 196.4
[M]+ 362.29278 189.8
[M]- 362.29388 189.8
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.