CID 454799

Chembl173635

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC=C(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H20N2O2/c1-3-14-11-16(19(22)21-13(14)2)9-10-18-20-12-17(23-18)15-7-5-4-6-8-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,22)
InChIKey
SPSMFBCBUQGVKU-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 173.7
[M+Na]+ 331.141688 182.9
[M-H]- 307.145194 180.8
[M+NH4]+ 326.186293 185.8
[M+K]+ 347.115628 177.6
[M+H-H2O]+ 291.149730 164.3
[M+HCOO]- 353.150671 194.0
[M+CH3COO]- 367.166321 185.0
[M+Na-2H]- 329.127136 175.8
[M]+ 308.15192142 176.1
[M]- 308.15301858 176.1
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.