CID 481011

Chembl129144

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)C)C
InChI
InChI=1S/C19H24N2O2/c1-6-16-13(4)20-19(23)18(21-14(5)22)17(16)10-15-8-11(2)7-12(3)9-15/h7-9H,6,10H2,1-5H3,(H,20,23)(H,21,22)
InChIKey
ADGBOHVBEMEYDD-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

312.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 175.9
[M+Na]+ 335.17300 184.8
[M-H]- 311.17650 180.9
[M+NH4]+ 330.21760 189.3
[M+K]+ 351.14694 179.3
[M+H-H2O]+ 295.18104 167.7
[M+HCOO]- 357.18198 196.5
[M+CH3COO]- 371.19763 212.2
[M+Na-2H]- 333.15845 175.7
[M]+ 312.18323 177.8
[M]- 312.18433 177.8
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.