CID 3007407

108664-37-5

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C=C(C1=CC=NC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H11NO/c1-11(12-7-9-15-10-8-12)14(16)13-5-3-2-4-6-13/h2-10H,1H2

InChIKey

LNKJTAXYOUBBSQ-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyridin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 209.08406 Da
Monoisotopic Mass: 2.8
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]+	210.09134	145.5
[M+Na]+	232.07328	152.1
[M-H]-	208.07678	150.5
[M+NH4]+	227.11788	162.1
[M+K]+	248.04722	148.3
[M+H-H2O]+	192.08132	137.4
[M+HCOO]-	254.08226	167.1
[M+CH3COO]-	268.09791	186.7
[M+Na-2H]-	230.05873	151.3
[M]+	209.08351	143.8
[M]-	209.08461	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe