CID 486985

Chembl186129

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=C(C=C2)OC)C)N(C)C)C
InChI
InChI=1S/C19H24N2O3/c1-7-14-12(3)20-19(23)17(21(4)5)16(14)18(22)13-8-9-15(24-6)11(2)10-13/h8-10H,7H2,1-6H3,(H,20,23)
InChIKey
DKMWWEUJBSQJDZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-(4-methoxy-3-methylbenzoyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 177.5
[M+Na]+ 351.16790 186.3
[M-H]- 327.17140 184.0
[M+NH4]+ 346.21250 190.7
[M+K]+ 367.14184 183.0
[M+H-H2O]+ 311.17594 169.0
[M+HCOO]- 373.17688 198.8
[M+CH3COO]- 387.19253 218.3
[M+Na-2H]- 349.15335 176.8
[M]+ 328.17813 182.3
[M]- 328.17923 182.3
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.