CID 736260

404832-64-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CC1=C(C=CC(=C1)N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C12H12N2O2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3,(H,14,15)

InChIKey

KYIFBTMTQXRRCU-UHFFFAOYSA-N

Compound name

N-(4-amino-2-methylphenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 42
Patents: 216.08987 Da
Monoisotopic Mass: 1.8
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]+	217.097146	147.3
[M+Na]+	239.079088	154.9
[M-H]-	215.082594	155.0
[M+NH4]+	234.123693	165.6
[M+K]+	255.053028	153.1
[M+H-H2O]+	199.087130	140.5
[M+HCOO]-	261.088071	173.3
[M+CH3COO]-	275.103721	190.9
[M+Na-2H]-	237.064536	151.9
[M]+	216.08932142	147.0
[M]-	216.09041858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe