CID 760979

161115-05-5

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)N

InChI

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

InChIKey

ADGOHRSLARPRIA-UHFFFAOYSA-N

Compound name

2-methyl-5-phenylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 19
Patents: 201.07898 Da
Monoisotopic Mass: 1.9
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

literature stripe

Patent stripe

patents stripe