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 184.7
[M+Na]+ 347.22195 186.1
[M-H]- 323.22545 190.9
[M+NH4]+ 342.26655 197.8
[M+K]+ 363.19589 175.7
[M+H-H2O]+ 307.22999 176.6
[M+HCOO]- 369.23093 200.5
[M+CH3COO]- 383.24658 201.4
[M+Na-2H]- 345.20740 189.2
[M]+ 324.23218 179.1
[M]- 324.23328 179.1
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.