CID 486956

5-ethyl-6-methyl-3-(methylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C17H19F3N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)C(F)(F)F)NC)C
InChI
InChI=1S/C17H19F3N2O/c1-4-13-10(2)22-16(23)15(21-3)14(13)9-11-6-5-7-12(8-11)17(18,19)20/h5-8,21H,4,9H2,1-3H3,(H,22,23)
InChIKey
MTIHVNLGPICDRE-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(methylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.14496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15224 174.8
[M+Na]+ 347.13418 184.4
[M-H]- 323.13768 175.7
[M+NH4]+ 342.17878 187.5
[M+K]+ 363.10812 177.8
[M+H-H2O]+ 307.14222 164.4
[M+HCOO]- 369.14316 191.8
[M+CH3COO]- 383.15881 211.2
[M+Na-2H]- 345.11963 176.4
[M]+ 324.14441 171.6
[M]- 324.14551 171.6
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.