CID 45051294

853328-32-2

Structural Information

Molecular Formula
C23H26N2
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCCC4C
InChI
InChI=1S/C23H26N2/c1-3-18-11-13-19(14-12-18)22-16-23(25-15-7-6-8-17(25)2)20-9-4-5-10-21(20)24-22/h4-5,9-14,16-17H,3,6-8,15H2,1-2H3
InChIKey
KELGJPBOCITEGF-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-4-(2-methylpiperidin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2096 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21688 184.3
[M+Na]+ 353.19882 190.2
[M-H]- 329.20232 190.9
[M+NH4]+ 348.24342 195.9
[M+K]+ 369.17276 182.7
[M+H-H2O]+ 313.20686 172.4
[M+HCOO]- 375.20780 199.3
[M+CH3COO]- 389.22345 193.1
[M+Na-2H]- 351.18427 186.7
[M]+ 330.20905 180.3
[M]- 330.21015 180.3
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.