CID 478723

Chembl41645

Structural Information

Molecular Formula

C₂₂H₁₅FN₂O₂

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C22H15FN2O2/c23-16-7-9-17(10-8-16)25-13-19(22(24)27)21(26)18-11-6-15(12-20(18)25)14-4-2-1-3-5-14/h1-13H,(H2,24,27)

InChIKey

FUONBRHXSQRZEN-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-oxo-7-phenylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 358.11176 Da
Monoisotopic Mass: 2.3
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]+	359.11904	185.1
[M+Na]+	381.10098	194.5
[M-H]-	357.10448	193.2
[M+NH4]+	376.14558	196.4
[M+K]+	397.07492	187.2
[M+H-H2O]+	341.10902	173.5
[M+HCOO]-	403.10996	205.1
[M+CH3COO]-	417.12561	195.3
[M+Na-2H]-	379.08643	188.3
[M]+	358.11121	183.4
[M]-	358.11231	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe