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]+ 360.289716 194.5
[M+Na]+ 382.271658 195.7
[M-H]- 358.275164 197.2
[M+NH4]+ 377.316263 205.4
[M+K]+ 398.245598 191.2
[M+H-H2O]+ 342.279700 184.5
[M+HCOO]- 404.280641 209.7
[M+CH3COO]- 418.296291 218.8
[M+Na-2H]- 380.257106 192.1
[M]+ 359.28189142 195.2
[M]- 359.28298858 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.