CID 100472

Difenpiramide

Structural Information

Molecular Formula

C₁₉H₁₆N₂O

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)

InChIKey

PWHROYKAGRUWDQ-UHFFFAOYSA-N

Compound name

2-(4-phenylphenyl)-N-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 22
References: 5746
Patents: 288.12625 Da
Monoisotopic Mass: 3.8
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]+	289.13353	169.3
[M+Na]+	311.11547	185.3
[M+NH4]+	306.16007	178.0
[M+K]+	327.08941	175.9
[M-H]-	287.11897	176.6
[M+Na-2H]-	309.10092	181.9
[M]+	288.12570	173.8
[M]-	288.12680	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe