CID 4607667

1-benzyl-5-(benzyloxy)-4-oxo-1,4-dihydropyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)C=C2C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17NO3/c22-14-18-11-19(23)20(24-15-17-9-5-2-6-10-17)13-21(18)12-16-7-3-1-4-8-16/h1-11,13-14H,12,15H2

InChIKey

MCMWLNPZJNPWFC-UHFFFAOYSA-N

Compound name

1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 3.1
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]+	320.128126	174.5
[M+Na]+	342.110068	182.8
[M-H]-	318.113574	183.0
[M+NH4]+	337.154673	186.9
[M+K]+	358.084008	177.2
[M+H-H2O]+	302.118110	164.0
[M+HCOO]-	364.119051	197.6
[M+CH3COO]-	378.134701	206.7
[M+Na-2H]-	340.095516	179.5
[M]+	319.12030142	177.2
[M]-	319.12139858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.