CID 125497

Sk&f 96464

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)OC

InChI

InChI=1S/C17H16N2O/c1-12-6-3-4-8-14(12)19-15-10-11-18-17-13(15)7-5-9-16(17)20-2/h3-11H,1-2H3,(H,18,19)

InChIKey

SWIYBRDDDUUPGB-UHFFFAOYSA-N

Compound name

8-methoxy-N-(2-methylphenyl)quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 264.12625 Da
Monoisotopic Mass: 4.1
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]+	265.13353	161.3
[M+Na]+	287.11547	177.9
[M+NH4]+	282.16007	170.9
[M+K]+	303.08941	168.5
[M-H]-	263.11897	167.6
[M+Na-2H]-	285.10092	171.8
[M]+	264.12570	165.7
[M]-	264.12680	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe