CID 3041909

Propiophenone, 3'-chloro-4'-hexyloxy-5'-methyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C21H32ClNO2
SMILES
CCCCCCOC1=C(C=C(C=C1C)C(=O)CCN2CCCCC2)Cl
InChI
InChI=1S/C21H32ClNO2/c1-3-4-5-9-14-25-21-17(2)15-18(16-19(21)22)20(24)10-13-23-11-7-6-8-12-23/h15-16H,3-14H2,1-2H3
InChIKey
OYNSXZFEUPGZEP-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-hexoxy-5-methylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21216 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21944 191.4
[M+Na]+ 388.20138 195.3
[M-H]- 364.20488 194.7
[M+NH4]+ 383.24598 203.3
[M+K]+ 404.17532 189.4
[M+H-H2O]+ 348.20942 182.6
[M+HCOO]- 410.21036 202.7
[M+CH3COO]- 424.22601 217.7
[M+Na-2H]- 386.18683 188.9
[M]+ 365.21161 194.0
[M]- 365.21271 194.0
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.