CID 3056735

Propiophenone, 4'-butylthio-3'-methyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C19H29NOS
SMILES
CCCCSC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)C
InChI
InChI=1S/C19H29NOS/c1-3-4-14-22-19-9-8-17(15-16(19)2)18(21)10-13-20-11-6-5-7-12-20/h8-9,15H,3-7,10-14H2,1-2H3
InChIKey
KBCJLEKIVJGPEW-UHFFFAOYSA-N
Compound name
1-(4-butylsulfanyl-3-methylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20428 178.5
[M+Na]+ 342.18622 189.9
[M+NH4]+ 337.23082 186.7
[M+K]+ 358.16016 179.5
[M-H]- 318.18972 182.3
[M+Na-2H]- 340.17167 183.8
[M]+ 319.19645 181.7
[M]- 319.19755 181.7
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.