CID 3062170

Brn 5301878

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₂

SMILES

CC1=CC=CC=C1NC(=O)C2=C(N(C(=CC2=O)C)C3=CC=CC=C3C)C

InChI

InChI=1S/C22H22N2O2/c1-14-9-5-7-11-18(14)23-22(26)21-17(4)24(16(3)13-20(21)25)19-12-8-6-10-15(19)2/h5-13H,1-4H3,(H,23,26)

InChIKey

ICLFPRRHSFSIOF-UHFFFAOYSA-N

Compound name

2,6-dimethyl-N,1-bis(2-methylphenyl)-4-oxopyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.16812 Da
Monoisotopic Mass: 4.4
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]+	347.175396	184.4
[M+Na]+	369.157338	193.6
[M-H]-	345.160844	193.9
[M+NH4]+	364.201943	196.4
[M+K]+	385.131278	187.8
[M+H-H2O]+	329.165380	174.3
[M+HCOO]-	391.166321	206.7
[M+CH3COO]-	405.181971	219.5
[M+Na-2H]-	367.142786	185.6
[M]+	346.16757142	186.5
[M]-	346.16866858	186.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.