CID 486999

Chembl188577

Structural Information

Molecular Formula
C18H18F4N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)F)C(F)(F)F)N(C)C)C
InChI
InChI=1S/C18H18F4N2O2/c1-5-13-9(2)23-17(26)15(24(3)4)14(13)16(25)10-6-11(18(20,21)22)8-12(19)7-10/h6-8H,5H2,1-4H3,(H,23,26)
InChIKey
HSCCEVQMUDOJOC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[3-fluoro-5-(trifluoromethyl)benzoyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.13043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13771 182.6
[M+Na]+ 393.11965 192.6
[M-H]- 369.12315 183.9
[M+NH4]+ 388.16425 194.0
[M+K]+ 409.09359 187.5
[M+H-H2O]+ 353.12769 171.1
[M+HCOO]- 415.12863 198.0
[M+CH3COO]- 429.14428 223.7
[M+Na-2H]- 391.10510 180.7
[M]+ 370.12988 180.3
[M]- 370.13098 180.3
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.