CID 459665

8-acetamido-6-chloroquinoline

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CC(=O)NC1=C2C(=CC(=C1)Cl)C=CC=N2

InChI

InChI=1S/C11H9ClN2O/c1-7(15)14-10-6-9(12)5-8-3-2-4-13-11(8)10/h2-6H,1H3,(H,14,15)

InChIKey

SMBCHABNGHJANY-UHFFFAOYSA-N

Compound name

N-(6-chloroquinolin-8-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.04034 Da
Monoisotopic Mass: 2.5
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]+	221.04762	144.1
[M+Na]+	243.02956	154.0
[M-H]-	219.03306	147.6
[M+NH4]+	238.07416	163.2
[M+K]+	259.00350	149.2
[M+H-H2O]+	203.03760	138.0
[M+HCOO]-	265.03854	162.5
[M+CH3COO]-	279.05419	189.7
[M+Na-2H]-	241.01501	151.9
[M]+	220.03979	146.3
[M]-	220.04089	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe