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]+ 317.20122 179.2
[M+Na]+ 339.18316 184.6
[M-H]- 315.18666 185.6
[M+NH4]+ 334.22776 191.0
[M+K]+ 355.15710 177.3
[M+H-H2O]+ 299.19120 167.3
[M+HCOO]- 361.19214 194.6
[M+CH3COO]- 375.20779 188.1
[M+Na-2H]- 337.16861 182.9
[M]+ 316.19339 174.4
[M]- 316.19449 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.