CID 45051046

3-(5-(2-chlorophenyl)-2-furyl)-n-(2,6-dimethylphenyl)-2-propenamide

Structural Information

Molecular Formula

C₂₁H₁₈ClNO₂

SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClNO2/c1-14-6-5-7-15(2)21(14)23-20(24)13-11-16-10-12-19(25-16)17-8-3-4-9-18(17)22/h3-13H,1-2H3,(H,23,24)/b13-11+

InChIKey

HDTMKTOYNFPPQC-ACCUITESSA-N

Compound name

(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2,6-dimethylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.1026 Da
Monoisotopic Mass: 5.3
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]+	352.109876	186.5
[M+Na]+	374.091818	195.3
[M-H]-	350.095324	197.3
[M+NH4]+	369.136423	200.7
[M+K]+	390.065758	189.0
[M+H-H2O]+	334.099860	178.7
[M+HCOO]-	396.100801	205.8
[M+CH3COO]-	410.116451	214.0
[M+Na-2H]-	372.077266	186.8
[M]+	351.10205142	190.7
[M]-	351.10314858	190.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.