CID 3062071

Ethanone, 1-(2-(4-methylphenyl)-4-quinolinyl)-2-(4-piperidinyl)-

Structural Information

Molecular Formula
C23H24N2O
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)CC4CCNCC4
InChI
InChI=1S/C23H24N2O/c1-16-6-8-18(9-7-16)22-15-20(19-4-2-3-5-21(19)25-22)23(26)14-17-10-12-24-13-11-17/h2-9,15,17,24H,10-14H2,1H3
InChIKey
ZKGYIDHLFDNHQY-UHFFFAOYSA-N
Compound name
1-[2-(4-methylphenyl)quinolin-4-yl]-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

344.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.196146 185.6
[M+Na]+ 367.178088 189.8
[M-H]- 343.181594 190.5
[M+NH4]+ 362.222693 195.3
[M+K]+ 383.152028 182.2
[M+H-H2O]+ 327.186130 174.0
[M+HCOO]- 389.187071 198.5
[M+CH3COO]- 403.202721 193.1
[M+Na-2H]- 365.163536 187.4
[M]+ 344.18832142 179.5
[M]- 344.18941858 179.5
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