CID 71219

Pipequaline

Structural Information

Molecular Formula
C22H24N2
SMILES
C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2
InChIKey
AMEWZCMTSIONOX-UHFFFAOYSA-N
Compound name
2-phenyl-4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

87
Patents

316.19394 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 180.6
[M+Na]+ 339.18316 196.9
[M+NH4]+ 334.22776 190.2
[M+K]+ 355.15710 185.9
[M-H]- 315.18666 187.8
[M+Na-2H]- 337.16861 191.0
[M]+ 316.19339 185.2
[M]- 316.19449 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe