CID 459663

6-chloro-2-(p-diethylaminophenyl)quinoline

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂

SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2/c1-3-22(4-2)17-9-5-14(6-10-17)18-11-7-15-13-16(20)8-12-19(15)21-18/h5-13H,3-4H2,1-2H3

InChIKey

COKMMOZPHSAURK-UHFFFAOYSA-N

Compound name

4-(6-chloroquinolin-2-yl)-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1237 Da
Monoisotopic Mass: 5.3
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]+	311.130976	173.4
[M+Na]+	333.112918	182.1
[M-H]-	309.116424	180.6
[M+NH4]+	328.157523	189.1
[M+K]+	349.086858	175.7
[M+H-H2O]+	293.120960	164.4
[M+HCOO]-	355.121901	191.3
[M+CH3COO]-	369.137551	184.9
[M+Na-2H]-	331.098366	178.8
[M]+	310.12315142	177.3
[M]-	310.12424858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.