CID 486957

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

Structural Information

Molecular Formula
C16H15F3N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C
InChI
InChI=1S/C16H15F3N2O2/c1-3-11-8(2)21-15(23)13(20)12(11)14(22)9-5-4-6-10(7-9)16(17,18)19/h4-7H,3,20H2,1-2H3,(H,21,23)
InChIKey
MQOHXYMVAONIQH-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[3-(trifluoromethyl)benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.10855 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11583 172.3
[M+Na]+ 347.09777 182.2
[M-H]- 323.10127 173.1
[M+NH4]+ 342.14237 184.5
[M+K]+ 363.07171 176.1
[M+H-H2O]+ 307.10581 162.2
[M+HCOO]- 369.10675 188.5
[M+CH3COO]- 383.12240 209.9
[M+Na-2H]- 345.08322 172.4
[M]+ 324.10800 167.9
[M]- 324.10910 167.9
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.