CID 454794

Chembl353328

Structural Information

Molecular Formula
C16H19NO
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=CC=CC=C2)C
InChI
InChI=1S/C16H19NO/c1-3-14-11-15(16(18)17-12(14)2)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKey
RWEXZYPUDQKVSX-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(2-phenylethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 155.9
[M+Na]+ 264.13589 164.3
[M-H]- 240.13939 160.1
[M+NH4]+ 259.18049 171.8
[M+K]+ 280.10983 158.8
[M+H-H2O]+ 224.14393 148.0
[M+HCOO]- 286.14487 177.2
[M+CH3COO]- 300.16052 192.8
[M+Na-2H]- 262.12134 160.3
[M]+ 241.14612 156.2
[M]- 241.14722 156.2
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.