CID 486998

3-amino-5-ethyl-4-[3-fluoro-5-(trifluoromethyl)benzoyl]-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H14F4N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)F)C(F)(F)F)N)C
InChI
InChI=1S/C16H14F4N2O2/c1-3-11-7(2)22-15(24)13(21)12(11)14(23)8-4-9(16(18,19)20)6-10(17)5-8/h4-6H,3,21H2,1-2H3,(H,22,24)
InChIKey
OPPIMVPIBJLHML-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-4-[3-fluoro-5-(trifluoromethyl)benzoyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09915 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10643 175.4
[M+Na]+ 365.08837 186.2
[M-H]- 341.09187 175.1
[M+NH4]+ 360.13297 187.1
[M+K]+ 381.06231 179.7
[M+H-H2O]+ 325.09641 164.5
[M+HCOO]- 387.09735 190.4
[M+CH3COO]- 401.11300 214.0
[M+Na-2H]- 363.07382 174.1
[M]+ 342.09860 170.2
[M]- 342.09970 170.2
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.