CID 454795

Chembl175235

Structural Information

Molecular Formula
C20H21NO
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=CC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C20H21NO/c1-3-16-13-19(20(22)21-14(16)2)11-9-15-8-10-17-6-4-5-7-18(17)12-15/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,21,22)
InChIKey
QALBKNORHKXXTG-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(2-naphthalen-2-ylethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 170.2
[M+Na]+ 314.15154 179.1
[M-H]- 290.15504 175.3
[M+NH4]+ 309.19614 185.1
[M+K]+ 330.12548 172.0
[M+H-H2O]+ 274.15958 161.5
[M+HCOO]- 336.16052 189.8
[M+CH3COO]- 350.17617 181.4
[M+Na-2H]- 312.13699 174.8
[M]+ 291.16177 170.9
[M]- 291.16287 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.