CID 486859

Chembl366692

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C19H24N2O2/c1-7-15-13(4)20-19(23)17(21(5)6)16(15)18(22)14-9-11(2)8-12(3)10-14/h8-10H,7H2,1-6H3,(H,20,23)
InChIKey
IJQCYLWHJXNYTD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 174.2
[M+Na]+ 335.17300 183.2
[M-H]- 311.17650 180.7
[M+NH4]+ 330.21760 188.2
[M+K]+ 351.14694 179.2
[M+H-H2O]+ 295.18104 166.0
[M+HCOO]- 357.18198 195.4
[M+CH3COO]- 371.19763 216.2
[M+Na-2H]- 333.15845 173.5
[M]+ 312.18323 177.6
[M]- 312.18433 177.6
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.