CID 486880

Chembl188995

Structural Information

Molecular Formula
C18H21F3N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)C(F)(F)F)N(C)C)C
InChI
InChI=1S/C18H21F3N2O/c1-5-14-11(2)22-17(24)16(23(3)4)15(14)10-12-7-6-8-13(9-12)18(19,20)21/h6-9H,5,10H2,1-4H3,(H,22,24)
InChIKey
MREGXRDXNUPLNT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.16058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16786 178.6
[M+Na]+ 361.14980 187.8
[M-H]- 337.15330 180.8
[M+NH4]+ 356.19440 191.3
[M+K]+ 377.12374 182.4
[M+H-H2O]+ 321.15784 167.8
[M+HCOO]- 383.15878 195.7
[M+CH3COO]- 397.17443 217.4
[M+Na-2H]- 359.13525 179.0
[M]+ 338.16003 176.9
[M]- 338.16113 176.9
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.