CID 2800688

Maybridge3_000679

Structural Information

Molecular Formula

C₂₀H₁₄F₂N₂O₂

SMILES

C1=CC=C(C=C1)C=CC(=O)NC2=C(N=CC=C2)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H14F2N2O2/c21-15-9-10-18(16(22)13-15)26-20-17(7-4-12-23-20)24-19(25)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,25)

InChIKey

GJCKECURVCJNJC-UHFFFAOYSA-N

Compound name

N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 352.10233 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]+	353.109606	181.4
[M+Na]+	375.091548	188.9
[M-H]-	351.095054	187.1
[M+NH4]+	370.136153	192.0
[M+K]+	391.065488	182.2
[M+H-H2O]+	335.099590	169.0
[M+HCOO]-	397.100531	202.2
[M+CH3COO]-	411.116181	214.4
[M+Na-2H]-	373.076996	184.5
[M]+	352.10178142	179.3
[M]-	352.10287858	179.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.