CID 487006

3-amino-4-(3,5-dichlorobenzoyl)-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H14Cl2N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)Cl)Cl)N)C
InChI
InChI=1S/C15H14Cl2N2O2/c1-3-11-7(2)19-15(21)13(18)12(11)14(20)8-4-9(16)6-10(17)5-8/h4-6H,3,18H2,1-2H3,(H,19,21)
InChIKey
SQOOUFQHBWZKFB-UHFFFAOYSA-N
Compound name
3-amino-4-(3,5-dichlorobenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.04324 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05052 170.0
[M+Na]+ 347.03246 181.6
[M-H]- 323.03596 174.1
[M+NH4]+ 342.07706 183.9
[M+K]+ 363.00640 173.8
[M+H-H2O]+ 307.04050 164.1
[M+HCOO]- 369.04144 181.7
[M+CH3COO]- 383.05709 208.2
[M+Na-2H]- 345.01791 169.7
[M]+ 324.04269 173.1
[M]- 324.04379 173.1
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.