CID 208605

Sn 14477

Structural Information

Molecular Formula

C₁₉H₂₆ClN₃

SMILES

CCN(CC)C1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C19H26ClN3/c1-3-23(4-2)16-8-6-15(7-9-16)22-18-11-12-21-19-13-14(20)5-10-17(18)19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,21,22)

InChIKey

JLAYDKVSQLVTNK-UHFFFAOYSA-N

Compound name

1-N-(7-chloroquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 331.18152 Da
Monoisotopic Mass: 4.8
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]+	332.18880	180.5
[M+Na]+	354.17074	185.1
[M-H]-	330.17424	186.3
[M+NH4]+	349.21534	194.7
[M+K]+	370.14468	179.3
[M+H-H2O]+	314.17878	171.1
[M+HCOO]-	376.17972	195.1
[M+CH3COO]-	390.19537	189.7
[M+Na-2H]-	352.15619	183.3
[M]+	331.18097	179.4
[M]-	331.18207	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe