CID 3012789

Chembl363029

Structural Information

Molecular Formula
C17H18F2N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=C(C=CC=C2F)F)N(C)C)C
InChI
InChI=1S/C17H18F2N2O2/c1-5-10-9(2)20-17(23)15(21(3)4)13(10)16(22)14-11(18)7-6-8-12(14)19/h6-8H,5H2,1-4H3,(H,20,23)
InChIKey
MWSDWTFHSLQDQC-UHFFFAOYSA-N
Compound name
4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.13364 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14092 171.8
[M+Na]+ 343.12286 181.8
[M-H]- 319.12636 175.7
[M+NH4]+ 338.16746 185.3
[M+K]+ 359.09680 177.1
[M+H-H2O]+ 303.13090 161.8
[M+HCOO]- 365.13184 191.4
[M+CH3COO]- 379.14749 215.5
[M+Na-2H]- 341.10831 170.8
[M]+ 320.13309 172.2
[M]- 320.13419 172.2
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.