CID 54593660

3-(quinolin-4-yloxy)aniline

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C(=CC=N2)OC3=CC=CC(=C3)N

InChI

InChI=1S/C15H12N2O/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,16H2

InChIKey

YVRKMBMIOAEBBG-UHFFFAOYSA-N

Compound name

3-quinolin-4-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.09496 Da
Monoisotopic Mass: 1.8
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]+	237.102236	151.2
[M+Na]+	259.084178	159.9
[M-H]-	235.087684	157.3
[M+NH4]+	254.128783	167.9
[M+K]+	275.058118	154.8
[M+H-H2O]+	219.092220	142.6
[M+HCOO]-	281.093161	174.4
[M+CH3COO]-	295.108811	163.7
[M+Na-2H]-	257.069626	160.1
[M]+	236.09441142	150.4
[M]-	236.09550858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.