CID 487007

Chembl184294

Structural Information

Molecular Formula
C17H20Cl2N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)Cl)Cl)N(C)C)C
InChI
InChI=1S/C17H20Cl2N2O/c1-5-14-10(2)20-17(22)16(21(3)4)15(14)8-11-6-12(18)9-13(19)7-11/h6-7,9H,5,8H2,1-4H3,(H,20,22)
InChIKey
ISSUXDQDSZZITF-UHFFFAOYSA-N
Compound name
4-[(3,5-dichlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.09528 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10256 176.4
[M+Na]+ 361.08450 187.4
[M-H]- 337.08800 181.9
[M+NH4]+ 356.12910 190.9
[M+K]+ 377.05844 180.3
[M+H-H2O]+ 321.09254 169.7
[M+HCOO]- 383.09348 189.1
[M+CH3COO]- 397.10913 215.6
[M+Na-2H]- 359.06995 176.4
[M]+ 338.09473 182.2
[M]- 338.09583 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.