CID 252667

Nsc74816

Structural Information

Molecular Formula
C17H22ClN3
SMILES
CCN1CCC(CC1)NC2=C3C=CC(=C(C3=NC=C2)C)Cl
InChI
InChI=1S/C17H22ClN3/c1-3-21-10-7-13(8-11-21)20-16-6-9-19-17-12(2)15(18)5-4-14(16)17/h4-6,9,13H,3,7-8,10-11H2,1-2H3,(H,19,20)
InChIKey
YFKMRLWOKFVBHI-UHFFFAOYSA-N
Compound name
7-chloro-N-(1-ethylpiperidin-4-yl)-8-methylquinolin-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 173.2
[M+Na]+ 326.13946 180.4
[M-H]- 302.14296 177.0
[M+NH4]+ 321.18406 187.3
[M+K]+ 342.11340 173.5
[M+H-H2O]+ 286.14750 163.8
[M+HCOO]- 348.14844 185.6
[M+CH3COO]- 362.16409 182.8
[M+Na-2H]- 324.12491 176.6
[M]+ 303.14969 171.7
[M]- 303.15079 171.7
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.