CID 24848458

Dtxsid901028381

Structural Information

Molecular Formula

C₁₉H₂₁F₂NO₂

SMILES

CCOC1=C(C=CC(=C1)C(C)(C)C)NC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C19H21F2NO2/c1-5-24-16-11-12(19(2,3)4)9-10-15(16)22-18(23)17-13(20)7-6-8-14(17)21/h6-11H,5H2,1-4H3,(H,22,23)

InChIKey

BYUBYQBNINRDFT-UHFFFAOYSA-N

Compound name

N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 333.15402 Da
Monoisotopic Mass: 5.0
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]+	334.161296	178.2
[M+Na]+	356.143238	186.1
[M-H]-	332.146744	182.7
[M+NH4]+	351.187843	192.3
[M+K]+	372.117178	181.8
[M+H-H2O]+	316.151280	168.8
[M+HCOO]-	378.152221	197.8
[M+CH3COO]-	392.167871	215.2
[M+Na-2H]-	354.128686	179.5
[M]+	333.15347142	178.6
[M]-	333.15456858	178.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.