CID 487008

Chembl188941

Structural Information

Molecular Formula
C17H18Cl2N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)Cl)Cl)N(C)C)C
InChI
InChI=1S/C17H18Cl2N2O2/c1-5-13-9(2)20-17(23)15(21(3)4)14(13)16(22)10-6-11(18)8-12(19)7-10/h6-8H,5H2,1-4H3,(H,20,23)
InChIKey
DXVXCTFPWKSIPA-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.07452 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08180 176.8
[M+Na]+ 375.06374 187.7
[M-H]- 351.06724 182.6
[M+NH4]+ 370.10834 190.6
[M+K]+ 391.03768 181.2
[M+H-H2O]+ 335.07178 170.3
[M+HCOO]- 397.07272 189.1
[M+CH3COO]- 411.08837 217.8
[M+Na-2H]- 373.04919 176.0
[M]+ 352.07397 183.0
[M]- 352.07507 183.0
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.