CID 3049733

Brn 0429033

Structural Information

Molecular Formula

C₂₀H₁₈N₂O₂

SMILES

CC1=CC(=O)C(=C(N1C2=CC=CC=C2)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2/c1-14-13-18(23)19(20(24)21-16-9-5-3-6-10-16)15(2)22(14)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,21,24)

InChIKey

XNMPOLGMSVHZFT-UHFFFAOYSA-N

Compound name

2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 318.13684 Da
Monoisotopic Mass: 3.6
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]+	319.14412	175.4
[M+Na]+	341.12606	183.7
[M-H]-	317.12956	184.4
[M+NH4]+	336.17066	187.9
[M+K]+	357.10000	178.1
[M+H-H2O]+	301.13410	165.3
[M+HCOO]-	363.13504	198.4
[M+CH3COO]-	377.15069	211.0
[M+Na-2H]-	339.11151	179.1
[M]+	318.13629	175.9
[M]-	318.13739	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe