CID 3056760

4'-isopropylthio-3-piperidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C17H25NOS
SMILES
CC(C)SC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C17H25NOS/c1-14(2)20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9,14H,3-5,10-13H2,1-2H3
InChIKey
KUMKNLOUBWAPBS-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-(4-propan-2-ylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16568 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17296 169.8
[M+Na]+ 314.15490 172.8
[M-H]- 290.15840 173.5
[M+NH4]+ 309.19950 183.9
[M+K]+ 330.12884 168.8
[M+H-H2O]+ 274.16294 161.5
[M+HCOO]- 336.16388 180.8
[M+CH3COO]- 350.17953 202.3
[M+Na-2H]- 312.14035 167.5
[M]+ 291.16513 168.3
[M]- 291.16623 168.3
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.