CID 454453

Bdbm1330

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=C(C3=CC=CC=C3O2)C)C

InChI

InChI=1S/C18H20N2O2/c1-4-13-9-15(18(21)20-12(13)3)19-10-17-11(2)14-7-5-6-8-16(14)22-17/h5-9,19H,4,10H2,1-3H3,(H,20,21)

InChIKey

KLKSFVIBCQIWBL-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-3-[(3-methyl-1-benzofuran-2-yl)methylamino]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 296.15247 Da
Monoisotopic Mass: 3.4
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]+	297.159746	170.0
[M+Na]+	319.141688	180.8
[M-H]-	295.145194	177.0
[M+NH4]+	314.186293	185.4
[M+K]+	335.115628	175.7
[M+H-H2O]+	279.149730	162.3
[M+HCOO]-	341.150671	192.8
[M+CH3COO]-	355.166321	182.5
[M+Na-2H]-	317.127136	174.2
[M]+	296.15192142	174.2
[M]-	296.15301858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.