CID 113820

63731-90-8

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C14H12N2O/c17-14(16-13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H,(H,15,16,17)

InChIKey

BDNKPEVYDJXVHD-UHFFFAOYSA-N

Compound name

3-phenyl-N-pyridin-2-ylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.09496 Da
Monoisotopic Mass: 2.7
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]+	225.10224	149.9
[M+Na]+	247.08418	156.1
[M-H]-	223.08768	154.9
[M+NH4]+	242.12878	165.9
[M+K]+	263.05812	151.7
[M+H-H2O]+	207.09222	141.4
[M+HCOO]-	269.09316	173.7
[M+CH3COO]-	283.10881	189.4
[M+Na-2H]-	245.06963	157.4
[M]+	224.09441	148.0
[M]-	224.09551	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe