CID 114081

5-(n-acetaminophenylazo)-8-oxyquinoline

Structural Information

Molecular Formula

C₁₇H₁₄N₄O₂

SMILES

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C17H14N4O2/c1-11(22)19-12-4-6-13(7-5-12)20-21-15-8-9-16(23)17-14(15)3-2-10-18-17/h2-10,23H,1H3,(H,19,22)

InChIKey

DKRPSSOODLBKPQ-UHFFFAOYSA-N

Compound name

N-[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.11166 Da
Monoisotopic Mass: 3.2
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]+	307.118936	168.4
[M+Na]+	329.100878	175.8
[M-H]-	305.104384	176.4
[M+NH4]+	324.145483	182.5
[M+K]+	345.074818	171.8
[M+H-H2O]+	289.108920	158.5
[M+HCOO]-	351.109861	194.5
[M+CH3COO]-	365.125511	214.6
[M+Na-2H]-	327.086326	176.9
[M]+	306.11111142	169.4
[M]-	306.11220858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe