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: 1
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]+	265.133526	160.4
[M+Na]+	287.115468	169.0
[M-H]-	263.118974	167.0
[M+NH4]+	282.160073	176.5
[M+K]+	303.089408	164.0
[M+H-H2O]+	247.123510	151.4
[M+HCOO]-	309.124451	183.4
[M+CH3COO]-	323.140101	172.6
[M+Na-2H]-	285.100916	168.4
[M]+	264.12570142	161.6
[M]-	264.12679858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe