CID 213663

3'-ethyl-4'-heptyloxy-3-piperidino-propiophenone hydrochloride

Structural Information

Molecular Formula
C23H37NO2
SMILES
CCCCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C23H37NO2/c1-3-5-6-7-11-18-26-23-13-12-21(19-20(23)4-2)22(25)14-17-24-15-9-8-10-16-24/h12-13,19H,3-11,14-18H2,1-2H3
InChIKey
AWNQSBCOYKUAQE-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-heptoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.28244 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 194.5
[M+Na]+ 382.27166 195.7
[M-H]- 358.27516 197.2
[M+NH4]+ 377.31626 205.4
[M+K]+ 398.24560 191.2
[M+H-H2O]+ 342.27970 184.5
[M+HCOO]- 404.28064 209.7
[M+CH3COO]- 418.29629 218.8
[M+Na-2H]- 380.25711 192.1
[M]+ 359.28189 195.2
[M]- 359.28299 195.2
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.