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
4
Annotation Hits

35
References

82
Patents

316.19394 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 178.1
[M+Na]+ 339.183158 182.1
[M-H]- 315.186664 182.7
[M+NH4]+ 334.227763 188.9
[M+K]+ 355.157098 174.0
[M+H-H2O]+ 299.191200 166.5
[M+HCOO]- 361.192141 192.0
[M+CH3COO]- 375.207791 186.0
[M+Na-2H]- 337.168606 182.3
[M]+ 316.19339142 171.2
[M]- 316.19448858 171.2
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