CID 3056756

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

Structural Information

Molecular Formula
C19H29NOS
SMILES
CC(C)CCSC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C19H29NOS/c1-16(2)11-15-22-18-8-6-17(7-9-18)19(21)10-14-20-12-4-3-5-13-20/h6-9,16H,3-5,10-15H2,1-2H3
InChIKey
ZUJMTDHLPVPWIX-UHFFFAOYSA-N
Compound name
1-[4-(3-methylbutylsulfanyl)phenyl]-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20428 178.0
[M+Na]+ 342.18622 188.6
[M+NH4]+ 337.23082 186.0
[M+K]+ 358.16016 178.8
[M-H]- 318.18972 181.5
[M+Na-2H]- 340.17167 183.3
[M]+ 319.19645 180.9
[M]- 319.19755 180.9
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.