CID 4464461

2-cyano-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C15H12N2O2/c16-11-10-15(18)17-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)

InChIKey

OXHIWEJGDRONFQ-UHFFFAOYSA-N

Compound name

2-cyano-N-(4-phenoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 252.08987 Da
Monoisotopic Mass: 3.6
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]+	253.09715	161.8
[M+Na]+	275.07909	170.4
[M-H]-	251.08259	166.8
[M+NH4]+	270.12369	176.2
[M+K]+	291.05303	165.3
[M+H-H2O]+	235.08713	147.4
[M+HCOO]-	297.08807	182.4
[M+CH3COO]-	311.10372	206.4
[M+Na-2H]-	273.06454	166.6
[M]+	252.08932	156.8
[M]-	252.09042	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe