CID 202032

1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethylpiperidinium iodide

Structural Information

Molecular Formula
C23H32NO
SMILES
CC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C23H32NO/c1-3-24(16-10-5-11-17-24)20(2)19-25-23-15-9-8-14-22(23)18-21-12-6-4-7-13-21/h4,6-9,12-15,20H,3,5,10-11,16-19H2,1-2H3/q+1
InChIKey
LXIZSMNYZMRUSF-UHFFFAOYSA-N
Compound name
1-[1-(2-benzylphenoxy)propan-2-yl]-1-ethylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.24838 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25566 188.7
[M+Na]+ 361.23760 190.6
[M-H]- 337.24110 195.1
[M+NH4]+ 356.28220 201.5
[M+K]+ 377.21154 180.0
[M+H-H2O]+ 321.24564 180.6
[M+HCOO]- 383.24658 204.2
[M+CH3COO]- 397.26223 205.4
[M+Na-2H]- 359.22305 192.0
[M]+ 338.24783 183.9
[M]- 338.24893 183.9
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.