CID 31176

N-(quinolin-6-yl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC(=O)NC1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C11H10N2O/c1-8(14)13-10-4-5-11-9(7-10)3-2-6-12-11/h2-7H,1H3,(H,13,14)

InChIKey

GJEUIVYGSBNNKW-UHFFFAOYSA-N

Compound name

N-quinolin-6-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 119
Patents: 186.07932 Da
Monoisotopic Mass: 1.6
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]+	187.08660	137.8
[M+Na]+	209.06854	146.0
[M-H]-	185.07204	141.2
[M+NH4]+	204.11314	157.1
[M+K]+	225.04248	143.0
[M+H-H2O]+	169.07658	130.8
[M+HCOO]-	231.07752	160.8
[M+CH3COO]-	245.09317	184.7
[M+Na-2H]-	207.05399	146.9
[M]+	186.07877	137.4
[M]-	186.07987	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe