CID 6869076

93758-56-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-11-4-2-5-12(8-11)19-10-14(17)16-15-9-13-6-3-7-18-13/h2-9H,10H2,1H3,(H,16,17)/b15-9+

InChIKey

NUHSOVFNEWVLAT-OQLLNIDSSA-N

Compound name

N-[(E)-furan-2-ylmethylideneamino]-2-(3-methylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.10043 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]+	259.107706	158.0
[M+Na]+	281.089648	164.3
[M-H]-	257.093154	166.8
[M+NH4]+	276.134253	175.0
[M+K]+	297.063588	163.3
[M+H-H2O]+	241.097690	150.0
[M+HCOO]-	303.098631	185.8
[M+CH3COO]-	317.114281	199.5
[M+Na-2H]-	279.075096	163.7
[M]+	258.09988142	161.3
[M]-	258.10097858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.