CID 7275193

84594-63-8

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃

SMILES

CN1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-4-5-16-13-10-11(15)2-3-12(13)14/h2-5,10H,6-9H2,1H3

InChIKey

DYRPMOPVNODEGE-UHFFFAOYSA-N

Compound name

7-chloro-4-(4-methylpiperazin-1-yl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 261.10327 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.11055	160.2
[M+Na]+	284.09249	168.6
[M-H]-	260.09599	162.7
[M+NH4]+	279.13709	174.5
[M+K]+	300.06643	162.3
[M+H-H2O]+	244.10053	150.3
[M+HCOO]-	306.10147	171.1
[M+CH3COO]-	320.11712	170.5
[M+Na-2H]-	282.07794	165.4
[M]+	261.10272	158.2
[M]-	261.10382	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe