CID 3043947

56392-81-5

Structural Information

Molecular Formula

C₁₅H₁₇NO₃

SMILES

CCC1(C=C(C(=O)N(C1=O)C)OC)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO3/c1-4-15(11-8-6-5-7-9-11)10-12(19-3)13(17)16(2)14(15)18/h5-10H,4H2,1-3H3

InChIKey

CNUYOVRFIDRKKB-UHFFFAOYSA-N

Compound name

3-ethyl-5-methoxy-1-methyl-3-phenylpyridine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.12085 Da
Monoisotopic Mass: 2.3
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]+	260.128126	156.5
[M+Na]+	282.110068	165.8
[M-H]-	258.113574	162.5
[M+NH4]+	277.154673	174.4
[M+K]+	298.084008	162.9
[M+H-H2O]+	242.118110	149.2
[M+HCOO]-	304.119051	177.5
[M+CH3COO]-	318.134701	197.0
[M+Na-2H]-	280.095516	160.7
[M]+	259.12030142	158.5
[M]-	259.12139858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.