CID 209689

20169-17-9

Structural Information

Molecular Formula
C17H22ClN3
SMILES
CCN1CCC(CC1)CNC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C17H22ClN3/c1-2-21-9-6-13(7-10-21)12-20-16-5-8-19-17-11-14(18)3-4-15(16)17/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,19,20)
InChIKey
KDBQSRLUZVCNAS-UHFFFAOYSA-N
Compound name
7-chloro-N-[(1-ethylpiperidin-4-yl)methyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.15024 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15752 172.1
[M+Na]+ 326.13946 187.0
[M+NH4]+ 321.18406 181.5
[M+K]+ 342.11340 177.1
[M-H]- 302.14296 177.5
[M+Na-2H]- 324.12491 179.9
[M]+ 303.14969 176.2
[M]- 303.15079 176.2
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.