CID 54679060

Cbmicro_023575

Structural Information

Molecular Formula

C₂₁H₂₁FN₂O₃

SMILES

CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3F)O

InChI

InChI=1S/C21H21FN2O3/c1-2-3-8-13-24-17-12-7-4-9-14(17)19(25)18(21(24)27)20(26)23-16-11-6-5-10-15(16)22/h4-7,9-12,25H,2-3,8,13H2,1H3,(H,23,26)

InChIKey

IJCILFHLIIZIAU-UHFFFAOYSA-N

Compound name

N-(2-fluorophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 368.15363 Da
Monoisotopic Mass: 4.4
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]+	369.160906	187.6
[M+Na]+	391.142848	195.7
[M-H]-	367.146354	191.4
[M+NH4]+	386.187453	198.8
[M+K]+	407.116788	189.4
[M+H-H2O]+	351.150890	177.2
[M+HCOO]-	413.151831	206.2
[M+CH3COO]-	427.167481	219.5
[M+Na-2H]-	389.128296	189.7
[M]+	368.15308142	188.8
[M]-	368.15417858	188.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.