CID 3041907

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

Structural Information

Molecular Formula
C20H30ClNO2
SMILES
CCCCCOC1=C(C=C(C=C1C)C(=O)CCN2CCCCC2)Cl
InChI
InChI=1S/C20H30ClNO2/c1-3-4-8-13-24-20-16(2)14-17(15-18(20)21)19(23)9-12-22-10-6-5-7-11-22/h14-15H,3-13H2,1-2H3
InChIKey
WDVXIDMQVIXPEN-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-methyl-4-pentoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1965 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20378 186.9
[M+Na]+ 374.18572 191.2
[M-H]- 350.18922 190.4
[M+NH4]+ 369.23032 199.4
[M+K]+ 390.15966 185.6
[M+H-H2O]+ 334.19376 178.3
[M+HCOO]- 396.19470 198.6
[M+CH3COO]- 410.21035 214.7
[M+Na-2H]- 372.17117 184.9
[M]+ 351.19595 189.1
[M]- 351.19705 189.1
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.