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 172.4
[M+Na]+ 326.13946 178.6
[M-H]- 302.14296 175.7
[M+NH4]+ 321.18406 186.1
[M+K]+ 342.11340 171.7
[M+H-H2O]+ 286.14750 162.7
[M+HCOO]- 348.14844 184.8
[M+CH3COO]- 362.16409 181.7
[M+Na-2H]- 324.12491 176.6
[M]+ 303.14969 170.4
[M]- 303.15079 170.4
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

patents stripe