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]+ 346.274056 190.1
[M+Na]+ 368.255998 191.7
[M-H]- 344.259504 193.0
[M+NH4]+ 363.300603 201.6
[M+K]+ 384.229938 187.4
[M+H-H2O]+ 328.264040 180.3
[M+HCOO]- 390.264981 205.6
[M+CH3COO]- 404.280631 215.9
[M+Na-2H]- 366.241446 188.2
[M]+ 345.26623142 190.4
[M]- 345.26732858 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.