CID 486974

Chembl181683

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₃

SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC=C(O2)C)N(C)C)C

InChI

InChI=1S/C16H20N2O3/c1-6-11-10(3)17-16(20)14(18(4)5)13(11)15(19)12-8-7-9(2)21-12/h7-8H,6H2,1-5H3,(H,17,20)

InChIKey

UFRFBMPPBSGVSL-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-5-ethyl-6-methyl-4-(5-methylfuran-2-carbonyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.1474 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]+	289.154676	167.0
[M+Na]+	311.136618	176.3
[M-H]-	287.140124	174.4
[M+NH4]+	306.181223	182.3
[M+K]+	327.110558	174.4
[M+H-H2O]+	271.144660	159.8
[M+HCOO]-	333.145601	189.3
[M+CH3COO]-	347.161251	208.0
[M+Na-2H]-	309.122066	166.9
[M]+	288.14685142	171.7
[M]-	288.14794858	171.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.