CID 213665

1-propanone, 1-(3-ethyl-4-(octyloxy)phenyl)-3-(1-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C24H39NO2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C24H39NO2/c1-3-5-6-7-8-12-19-27-24-14-13-22(20-21(24)4-2)23(26)15-18-25-16-10-9-11-17-25/h13-14,20H,3-12,15-19H2,1-2H3
InChIKey
OWGSKTBGTVWLSV-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-octoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.29807 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.30535 198.9
[M+Na]+ 396.28729 199.7
[M-H]- 372.29079 201.4
[M+NH4]+ 391.33189 209.2
[M+K]+ 412.26123 194.9
[M+H-H2O]+ 356.29533 188.7
[M+HCOO]- 418.29627 213.7
[M+CH3COO]- 432.31192 221.8
[M+Na-2H]- 394.27274 195.9
[M]+ 373.29752 199.9
[M]- 373.29862 199.9
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.