CID 214318

4-benzoxy-4-phenyl-5-(trimethylammoniomethyl)-1,1,2,5-tetramethylpiperidinium, diiodide

Structural Information

Molecular Formula
C26H38N2O2
SMILES
CC1CC(C(C[N+]1(C)C)(C)C[N+](C)(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H38N2O2/c1-21-18-26(23-16-12-9-13-17-23,30-24(29)22-14-10-8-11-15-22)25(2,19-27(3,4)5)20-28(21,6)7/h8-17,21H,18-20H2,1-7H3/q+2
InChIKey
IPLHMQVLFACIAF-UHFFFAOYSA-N
Compound name
(4-benzoyloxy-1,1,3,6-tetramethyl-4-phenylpiperidin-1-ium-3-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.29333 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.30061 196.9
[M+Na]+ 433.28255 213.4
[M+NH4]+ 428.32715 210.6
[M+K]+ 449.25649 201.2
[M-H]- 409.28605 206.4
[M+Na-2H]- 431.26800 211.7
[M]+ 410.29278 203.4
[M]- 410.29388 203.4
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.