CID 97964

7251-52-7

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)C(=O)N

InChI

InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)

InChIKey

PYAPITOPBTXXNJ-UHFFFAOYSA-N

Compound name

2-phenyl-2-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 72
Patents: 212.09496 Da
Monoisotopic Mass: 0.8
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]+	213.10224	146.8
[M+Na]+	235.08418	152.6
[M-H]-	211.08768	151.4
[M+NH4]+	230.12878	162.8
[M+K]+	251.05812	149.2
[M+H-H2O]+	195.09222	138.5
[M+HCOO]-	257.09316	169.0
[M+CH3COO]-	271.10881	188.8
[M+Na-2H]-	233.06963	152.5
[M]+	212.09441	143.8
[M]-	212.09551	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe