CID 855022

61941-97-7

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)C(=O)N

InChI

InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H2,13,14)

InChIKey

FNLZYXXWCFUJGM-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.07898 Da
Monoisotopic Mass: 2.2
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]+	202.08626	142.8
[M+Na]+	224.06820	151.3
[M-H]-	200.07170	150.6
[M+NH4]+	219.11280	162.0
[M+K]+	240.04214	149.5
[M+H-H2O]+	184.07624	136.6
[M+HCOO]-	246.07718	167.8
[M+CH3COO]-	260.09283	186.5
[M+Na-2H]-	222.05365	147.1
[M]+	201.07843	143.3
[M]-	201.07953	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe