CID 3007415

104941-13-1

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

COC1=CC=C(C=C1)C(=O)C(=C)CN2C=CC=CC2=O

InChI

InChI=1S/C16H15NO3/c1-12(11-17-10-4-3-5-15(17)18)16(19)13-6-8-14(20-2)9-7-13/h3-10H,1,11H2,2H3

InChIKey

AUXFQZLLLHCCEE-UHFFFAOYSA-N

Compound name

1-[2-(4-methoxybenzoyl)prop-2-enyl]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.1
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]+	270.11248	159.4
[M+Na]+	292.09442	167.1
[M-H]-	268.09792	164.9
[M+NH4]+	287.13902	174.0
[M+K]+	308.06836	163.5
[M+H-H2O]+	252.10246	150.9
[M+HCOO]-	314.10340	181.0
[M+CH3COO]-	328.11905	198.4
[M+Na-2H]-	290.07987	162.7
[M]+	269.10465	161.4
[M]-	269.10575	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.