CID 3056795

Propiophenone, 3-piperidino-4'-(propylthio)-, hydrochloride

Structural Information

Molecular Formula
C17H25NOS
SMILES
CCCSC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C17H25NOS/c1-2-14-20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9H,2-5,10-14H2,1H3
InChIKey
PVYRMGRKPFCHFC-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16568 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17296 169.7
[M+Na]+ 314.15490 173.1
[M-H]- 290.15840 173.4
[M+NH4]+ 309.19950 184.0
[M+K]+ 330.12884 168.6
[M+H-H2O]+ 274.16294 161.3
[M+HCOO]- 336.16388 181.9
[M+CH3COO]- 350.17953 201.5
[M+Na-2H]- 312.14035 168.5
[M]+ 291.16513 168.9
[M]- 291.16623 168.9
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.