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 173.8
[M+Na]+ 328.17056 177.6
[M-H]- 304.17406 177.6
[M+NH4]+ 323.21516 187.8
[M+K]+ 344.14450 172.9
[M+H-H2O]+ 288.17860 165.4
[M+HCOO]- 350.17954 185.5
[M+CH3COO]- 364.19519 205.6
[M+Na-2H]- 326.15601 171.4
[M]+ 305.18079 173.7
[M]- 305.18189 173.7
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.