CID 329574

Acetamide, n-(4-methyl-7-quinolinyl)-

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=C2C=CC(=CC2=NC=C1)NC(=O)C

InChI

InChI=1S/C12H12N2O/c1-8-5-6-13-12-7-10(14-9(2)15)3-4-11(8)12/h3-7H,1-2H3,(H,14,15)

InChIKey

LSBDVPJRAZAMEO-UHFFFAOYSA-N

Compound name

N-(4-methylquinolin-7-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 200.09496 Da
Monoisotopic Mass: 1.9
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]+	201.10224	142.5
[M+Na]+	223.08418	151.2
[M-H]-	199.08768	146.2
[M+NH4]+	218.12878	161.6
[M+K]+	239.05812	148.0
[M+H-H2O]+	183.09222	135.5
[M+HCOO]-	245.09316	165.2
[M+CH3COO]-	259.10881	188.9
[M+Na-2H]-	221.06963	150.3
[M]+	200.09441	142.9
[M]-	200.09551	142.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.