CID 1297704

618402-89-4

Structural Information

Molecular Formula

C₂₀H₁₈ClNO₃

SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClNO3/c1-24-15-8-6-14(7-9-15)12-13-22-20(23)19-11-10-18(25-19)16-4-2-3-5-17(16)21/h2-11H,12-13H2,1H3,(H,22,23)

InChIKey

OLDFDTHJHSTXMH-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.09753 Da
Monoisotopic Mass: 4.8
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]+	356.104806	185.0
[M+Na]+	378.086748	192.8
[M-H]-	354.090254	195.6
[M+NH4]+	373.131353	198.7
[M+K]+	394.060688	188.0
[M+H-H2O]+	338.094790	176.9
[M+HCOO]-	400.095731	204.7
[M+CH3COO]-	414.111381	213.3
[M+Na-2H]-	376.072196	186.7
[M]+	355.09698142	190.6
[M]-	355.09807858	190.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.