CID 3056754

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

Structural Information

Molecular Formula
C20H31NOS
SMILES
CC1=C(C=CC(=C1)C(=O)CCN2CCCCC2)SCCC(C)C
InChI
InChI=1S/C20H31NOS/c1-16(2)10-14-23-20-8-7-18(15-17(20)3)19(22)9-13-21-11-5-4-6-12-21/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKey
RVRZELAULZWYHR-UHFFFAOYSA-N
Compound name
1-[3-methyl-4-(3-methylbutylsulfanyl)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21265 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21993 182.4
[M+Na]+ 356.20187 193.1
[M+NH4]+ 351.24647 190.3
[M+K]+ 372.17581 183.4
[M-H]- 332.20537 186.0
[M+Na-2H]- 354.18732 187.2
[M]+ 333.21210 185.4
[M]- 333.21320 185.4
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.