CID 486977

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

Structural Information

Molecular Formula
C20H25F3N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)C(F)(F)F)N(C)CCOC)C
InChI
InChI=1S/C20H25F3N2O2/c1-5-16-13(2)24-19(26)18(25(3)9-10-27-4)17(16)12-14-7-6-8-15(11-14)20(21,22)23/h6-8,11H,5,9-10,12H2,1-4H3,(H,24,26)
InChIKey
RVMAFEFPLOSCIY-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19408 191.2
[M+Na]+ 405.17602 199.4
[M-H]- 381.17952 193.0
[M+NH4]+ 400.22062 202.0
[M+K]+ 421.14996 194.2
[M+H-H2O]+ 365.18406 179.7
[M+HCOO]- 427.18500 207.9
[M+CH3COO]- 441.20065 225.5
[M+Na-2H]- 403.16147 190.6
[M]+ 382.18625 191.7
[M]- 382.18735 191.7
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.