CID 2728349

Maybridge1_006763

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₃

SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC=N2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H20N2O3/c1-20(2,3)14-8-10-15(11-9-14)25-19-16(6-4-12-21-19)22-18(23)17-7-5-13-24-17/h4-13H,1-3H3,(H,22,23)

InChIKey

MQSFEJDGZKFZAE-UHFFFAOYSA-N

Compound name

N-[2-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 336.1474 Da
Monoisotopic Mass: 4.6
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]+	337.154676	180.3
[M+Na]+	359.136618	186.8
[M-H]-	335.140124	189.8
[M+NH4]+	354.181223	192.3
[M+K]+	375.110558	184.1
[M+H-H2O]+	319.144660	171.3
[M+HCOO]-	381.145601	201.8
[M+CH3COO]-	395.161251	211.0
[M+Na-2H]-	357.122066	184.5
[M]+	336.14685142	183.1
[M]-	336.14794858	183.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.