CID 11392960

Luf-5735

Structural Information

Molecular Formula

C₂₀H₁₉N₃O

SMILES

CCCC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)

InChIKey

IGXLAZUQYPCBKI-UHFFFAOYSA-N

Compound name

N-(4,6-diphenylpyrimidin-2-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 317.1528 Da
Monoisotopic Mass: 3.9
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]+	318.160076	176.8
[M+Na]+	340.142018	183.0
[M-H]-	316.145524	183.4
[M+NH4]+	335.186623	187.4
[M+K]+	356.115958	176.8
[M+H-H2O]+	300.150060	165.5
[M+HCOO]-	362.151001	198.0
[M+CH3COO]-	376.166651	186.7
[M+Na-2H]-	338.127466	182.2
[M]+	317.15225142	176.2
[M]-	317.15334858	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe