CID 855038

724753-95-1

Structural Information

Molecular Formula

C₁₉H₁₇NO₃

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NCCC(=O)C3=CC=CO3

InChI

InChI=1S/C19H17NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2

InChIKey

MALVCAKEICAXCK-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 307.12085 Da
Monoisotopic Mass: 4.7
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]+	308.128126	171.2
[M+Na]+	330.110068	176.7
[M-H]-	306.113574	181.4
[M+NH4]+	325.154673	185.2
[M+K]+	346.084008	173.8
[M+H-H2O]+	290.118110	162.4
[M+HCOO]-	352.119051	195.9
[M+CH3COO]-	366.134701	205.1
[M+Na-2H]-	328.095516	175.6
[M]+	307.12030142	173.3
[M]-	307.12139858	173.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.