CID 3056785

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

Structural Information

Molecular Formula
C18H27NOS
SMILES
CCCSC1=C(C=C(C=C1)C(=O)CCN2CCCCC2)C
InChI
InChI=1S/C18H27NOS/c1-3-13-21-18-8-7-16(14-15(18)2)17(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3
InChIKey
LYIMFAQUROLDLJ-UHFFFAOYSA-N
Compound name
1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.18134 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18862 174.2
[M+Na]+ 328.17056 185.7
[M+NH4]+ 323.21516 182.6
[M+K]+ 344.14450 175.6
[M-H]- 304.17406 178.1
[M+Na-2H]- 326.15601 179.8
[M]+ 305.18079 177.4
[M]- 305.18189 177.4
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.