CID 1051903

109314-45-6

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C16H12N2O2/c17-11-13(16(18)19)9-12-5-4-8-15(10-12)20-14-6-2-1-3-7-14/h1-10H,(H2,18,19)/b13-9+

InChIKey

SJOFTAHNDSJAQA-UKTHLTGXSA-N

Compound name

(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 264.08987 Da
Monoisotopic Mass: 3.1
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]+	265.097146	168.3
[M+Na]+	287.079088	176.5
[M-H]-	263.082594	172.8
[M+NH4]+	282.123693	181.8
[M+K]+	303.053028	170.8
[M+H-H2O]+	247.087130	153.9
[M+HCOO]-	309.088071	187.3
[M+CH3COO]-	323.103721	208.6
[M+Na-2H]-	285.064536	170.3
[M]+	264.08932142	161.5
[M]-	264.09041858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.