CID 3062077

Ethanone, 2-(3-ethenyl-4-piperidinyl)-1-(2-phenyl-4-quinolinyl)-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C24H24N2O
SMILES
C=C[C@H]1CNCC[C@H]1CC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C24H24N2O/c1-2-17-16-25-13-12-19(17)14-24(27)21-15-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h2-11,15,17,19,25H,1,12-14,16H2/t17-,19-/m0/s1
InChIKey
ZVZASVLQRUVUNX-HKUYNNGSSA-N
Compound name
2-[(3R,4S)-3-ethenylpiperidin-4-yl]-1-(2-phenylquinolin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19615 190.0
[M+Na]+ 379.17809 205.4
[M+NH4]+ 374.22269 198.0
[M+K]+ 395.15203 195.4
[M-H]- 355.18159 196.0
[M+Na-2H]- 377.16354 198.7
[M]+ 356.18832 194.0
[M]- 356.18942 194.0
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