CID 453440

135525-73-4

Structural Information

Molecular Formula

C₁₈H₁₉NO₂

SMILES

CCC1=C(NC(=O)C(=C1)CCC2=CC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H19NO2/c1-3-13-10-15(18(20)19-12(13)2)8-9-16-11-14-6-4-5-7-17(14)21-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,20)

InChIKey

SJASAUDWUFJISL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 281.14157 Da
Monoisotopic Mass: 3.6
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]+	282.148846	165.3
[M+Na]+	304.130788	176.2
[M-H]-	280.134294	172.0
[M+NH4]+	299.175393	181.5
[M+K]+	320.104728	171.1
[M+H-H2O]+	264.138830	157.9
[M+HCOO]-	326.139771	187.2
[M+CH3COO]-	340.155421	178.1
[M+Na-2H]-	302.116236	169.8
[M]+	281.14102142	169.8
[M]-	281.14211858	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe