CID 3072649

Brn 5814450

Structural Information

Molecular Formula
C15H15NO2
SMILES
CCN1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C15H15NO2/c1-3-16-11(2)9-10-13(15(16)18)14(17)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKey
NHKPJNBWQHJKHV-UHFFFAOYSA-N
Compound name
3-benzoyl-1-ethyl-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.0
[M+Na]+ 264.09950 169.5
[M+NH4]+ 259.14410 161.9
[M+K]+ 280.07344 162.0
[M-H]- 240.10300 157.7
[M+Na-2H]- 262.08495 162.9
[M]+ 241.10973 157.3
[M]- 241.11083 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.