CID 207464

Propiophenone, 4'-decyloxy-3'-ethyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C26H43NO2
SMILES
CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)CC
InChI
InChI=1S/C26H43NO2/c1-3-5-6-7-8-9-10-14-21-29-26-16-15-24(22-23(26)4-2)25(28)17-20-27-18-12-11-13-19-27/h15-16,22H,3-14,17-21H2,1-2H3
InChIKey
JGKUUIRLYVGKFX-UHFFFAOYSA-N
Compound name
1-(4-decoxy-3-ethylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.32938 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.33666 207.7
[M+Na]+ 424.31860 207.6
[M-H]- 400.32210 209.7
[M+NH4]+ 419.36320 216.8
[M+K]+ 440.29254 202.3
[M+H-H2O]+ 384.32664 197.0
[M+HCOO]- 446.32758 221.8
[M+CH3COO]- 460.34323 227.6
[M+Na-2H]- 422.30405 203.6
[M]+ 401.32883 209.4
[M]- 401.32993 209.4
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.