CID 18997168

3-(benzyloxy)-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C(C=C1)COC2=CNC=CC2=O

InChI

InChI=1S/C12H11NO2/c14-11-6-7-13-8-12(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)

InChIKey

NZWMMUSDSPVNRZ-UHFFFAOYSA-N

Compound name

3-phenylmethoxy-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 201.07898 Da
Monoisotopic Mass: 1.8
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]+	202.086256	141.2
[M+Na]+	224.068198	149.4
[M-H]-	200.071704	145.4
[M+NH4]+	219.112803	158.1
[M+K]+	240.042138	145.4
[M+H-H2O]+	184.076240	133.5
[M+HCOO]-	246.077181	164.1
[M+CH3COO]-	260.092831	180.5
[M+Na-2H]-	222.053646	149.3
[M]+	201.07843142	140.7
[M]-	201.07952858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe