CID 486929

Chembl366618

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCC1=C(C(=C(C(=O)N1)N(C)C)C(=O)C2=CC=CC(=C2)C)C
InChI
InChI=1S/C18H22N2O2/c1-6-14-12(3)15(16(20(4)5)18(22)19-14)17(21)13-9-7-8-11(2)10-13/h7-10H,6H2,1-5H3,(H,19,22)
InChIKey
OEGJDZNNGJPFDH-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-6-ethyl-5-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 170.2
[M+Na]+ 321.15734 178.8
[M-H]- 297.16084 176.5
[M+NH4]+ 316.20194 184.5
[M+K]+ 337.13128 174.9
[M+H-H2O]+ 281.16538 161.9
[M+HCOO]- 343.16632 191.7
[M+CH3COO]- 357.18197 211.9
[M+Na-2H]- 319.14279 170.7
[M]+ 298.16757 172.8
[M]- 298.16867 172.8
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.