CID 4493565

618399-97-6

Structural Information

Molecular Formula

C₁₈H₁₄ClNO₃

SMILES

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

InChI

InChI=1S/C18H14ClNO3/c1-22-13-8-6-12(7-9-13)20-18(21)17-11-10-16(23-17)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,21)

InChIKey

SSWSMOFPKKPGBV-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 327.06622 Da
Monoisotopic Mass: 4.4
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]+	328.073496	175.6
[M+Na]+	350.055438	184.3
[M-H]-	326.058944	186.6
[M+NH4]+	345.100043	190.5
[M+K]+	366.029378	180.0
[M+H-H2O]+	310.063480	168.0
[M+HCOO]-	372.064421	196.0
[M+CH3COO]-	386.080071	207.4
[M+Na-2H]-	348.040886	178.5
[M]+	327.06567142	180.6
[M]-	327.06676858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.