CID 3062067

Ethanone, 1-(2-phenyl-4-quinolinyl)-2-(4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H22N2O
SMILES
C1CNCCC1CC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O/c25-22(14-16-10-12-23-13-11-16)19-15-21(17-6-2-1-3-7-17)24-20-9-5-4-8-18(19)20/h1-9,15-16,23H,10-14H2
InChIKey
JZSMRJISUKQXTD-UHFFFAOYSA-N
Compound name
1-(2-phenylquinolin-4-yl)-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

330.17322 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 182.2
[M+Na]+ 353.16244 197.6
[M+NH4]+ 348.20704 190.8
[M+K]+ 369.13638 187.9
[M-H]- 329.16594 188.4
[M+Na-2H]- 351.14789 191.7
[M]+ 330.17267 186.2
[M]- 330.17377 186.2
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

patents stripe