CID 6870844

113906-79-9

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C13H12N2O2/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9+

InChIKey

VNJKCISMYLGSHP-NTEUORMPSA-N

Compound name

N-[(E)-furan-2-ylmethylideneamino]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.08987 Da
Monoisotopic Mass: 2.6
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]+	229.09715	150.5
[M+Na]+	251.07909	157.5
[M-H]-	227.08259	159.6
[M+NH4]+	246.12369	168.9
[M+K]+	267.05303	156.1
[M+H-H2O]+	211.08713	143.0
[M+HCOO]-	273.08807	178.5
[M+CH3COO]-	287.10372	194.4
[M+Na-2H]-	249.06454	156.8
[M]+	228.08932	152.1
[M]-	228.09042	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe