CID 164179

124532-14-5

Structural Information

Molecular Formula

C₁₉H₁₆ClFN₂O

SMILES

CC(=O)N(CCC1=CC=C(C=C1)Cl)C2=C3C=CC=C(C3=NC=C2)F

InChI

InChI=1S/C19H16ClFN2O/c1-13(24)23(12-10-14-5-7-15(20)8-6-14)18-9-11-22-19-16(18)3-2-4-17(19)21/h2-9,11H,10,12H2,1H3

InChIKey

TYQLBTDDLCYBDZ-UHFFFAOYSA-N

Compound name

N-[2-(4-chlorophenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 342.0935 Da
Monoisotopic Mass: 4.2
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]+	343.100776	178.3
[M+Na]+	365.082718	186.9
[M-H]-	341.086224	184.2
[M+NH4]+	360.127323	192.4
[M+K]+	381.056658	180.6
[M+H-H2O]+	325.090760	168.3
[M+HCOO]-	387.091701	194.6
[M+CH3COO]-	401.107351	216.6
[M+Na-2H]-	363.068166	182.0
[M]+	342.09295142	181.3
[M]-	342.09404858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe