CID 213661

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

Structural Information

Molecular Formula
C22H35NO2
SMILES
CCCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C22H35NO2/c1-3-5-6-10-17-25-22-12-11-20(18-19(22)4-2)21(24)13-16-23-14-8-7-9-15-23/h11-12,18H,3-10,13-17H2,1-2H3
InChIKey
LHTXUUBHDOWKPE-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.26678 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.27406 190.1
[M+Na]+ 368.25600 191.7
[M-H]- 344.25950 193.0
[M+NH4]+ 363.30060 201.6
[M+K]+ 384.22994 187.4
[M+H-H2O]+ 328.26404 180.3
[M+HCOO]- 390.26498 205.6
[M+CH3COO]- 404.28063 215.9
[M+Na-2H]- 366.24145 188.2
[M]+ 345.26623 190.4
[M]- 345.26733 190.4
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.