CID 45051291

2-(4-ethylphenyl)-4-(1-piperidinyl)quinoline

Structural Information

Molecular Formula
C22H24N2
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCCC4
InChI
InChI=1S/C22H24N2/c1-2-17-10-12-18(13-11-17)21-16-22(24-14-6-3-7-15-24)19-8-4-5-9-20(19)23-21/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3
InChIKey
OMRCVMBSSWALBY-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-4-piperidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 179.2
[M+Na]+ 339.183158 184.6
[M-H]- 315.186664 185.6
[M+NH4]+ 334.227763 191.0
[M+K]+ 355.157098 177.3
[M+H-H2O]+ 299.191200 167.3
[M+HCOO]- 361.192141 194.6
[M+CH3COO]- 375.207791 188.1
[M+Na-2H]- 337.168606 182.9
[M]+ 316.19339142 174.4
[M]- 316.19448858 174.4
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

No patent data available for this compound.