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 189.0
[M+Na]+ 379.17809 193.1
[M-H]- 355.18159 193.8
[M+NH4]+ 374.22269 198.1
[M+K]+ 395.15203 184.6
[M+H-H2O]+ 339.18613 177.3
[M+HCOO]- 401.18707 201.7
[M+CH3COO]- 415.20272 196.2
[M+Na-2H]- 377.16354 190.3
[M]+ 356.18832 182.6
[M]- 356.18942 182.6
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