CID 453054

133671-49-5

Structural Information

Molecular Formula

C₂₀H₂₃N₃O

SMILES

CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3O/c1-23(2)13-12-21-20-14-19(15-8-10-16(24-3)11-9-15)22-18-7-5-4-6-17(18)20/h4-11,14H,12-13H2,1-3H3,(H,21,22)

InChIKey

DPIXUMPQZPSUKL-UHFFFAOYSA-N

Compound name

N-[2-(4-methoxyphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 321.1841 Da
Monoisotopic Mass: 3.8
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]+	322.19138	177.8
[M+Na]+	344.17332	184.2
[M-H]-	320.17682	185.1
[M+NH4]+	339.21792	191.7
[M+K]+	360.14726	179.9
[M+H-H2O]+	304.18136	167.6
[M+HCOO]-	366.18230	201.2
[M+CH3COO]-	380.19795	218.9
[M+Na-2H]-	342.15877	183.9
[M]+	321.18355	180.5
[M]-	321.18465	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe