CID 3025138

102207-31-8

Structural Information

Molecular Formula
C22H30NO
SMILES
C[N+]1(CCCCC1)CCOCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H30NO/c1-23(15-9-4-10-16-23)17-18-24-19-22(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14,22H,4,9-10,15-19H2,1H3/q+1
InChIKey
QYQBBWADTSBASM-UHFFFAOYSA-N
Compound name
1-[2-(2,2-diphenylethoxy)ethyl]-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.23273 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.24001 182.3
[M+Na]+ 347.22195 198.1
[M+NH4]+ 342.26655 193.9
[M+K]+ 363.19589 186.7
[M-H]- 323.22545 190.7
[M+Na-2H]- 345.20740 194.6
[M]+ 324.23218 187.6
[M]- 324.23328 187.6
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.