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 180.4
[M+Na]+ 353.16244 184.2
[M-H]- 329.16594 185.2
[M+NH4]+ 348.20704 190.4
[M+K]+ 369.13638 176.8
[M+H-H2O]+ 313.17048 168.9
[M+HCOO]- 375.17142 193.7
[M+CH3COO]- 389.18707 188.1
[M+Na-2H]- 351.14789 183.6
[M]+ 330.17267 173.7
[M]- 330.17377 173.7
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