CID 205353

1-(p-cyclopentyl-beta(pentyloxy)phenethyl)pyridinium bromide

Structural Information

Molecular Formula
C23H32NO
SMILES
CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C23H32NO/c1-2-3-9-18-25-23(19-24-16-7-4-8-17-24)22-14-12-21(13-15-22)20-10-5-6-11-20/h4,7-8,12-17,20,23H,2-3,5-6,9-11,18-19H2,1H3/q+1
InChIKey
RFARLOHXCZLDJZ-UHFFFAOYSA-N
Compound name
1-[2-(4-cyclopentylphenyl)-2-pentoxyethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.24838 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25566 191.1
[M+Na]+ 361.23760 193.1
[M-H]- 337.24110 197.8
[M+NH4]+ 356.28220 203.8
[M+K]+ 377.21154 182.4
[M+H-H2O]+ 321.24564 183.4
[M+HCOO]- 383.24658 209.0
[M+CH3COO]- 397.26223 205.4
[M+Na-2H]- 359.22305 191.9
[M]+ 338.24783 188.8
[M]- 338.24893 188.8
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.