CID 486875

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

Structural Information

Molecular Formula
C16H17F3N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)C(F)(F)F)N)C
InChI
InChI=1S/C16H17F3N2O/c1-3-12-9(2)21-15(22)14(20)13(12)8-10-4-6-11(7-5-10)16(17,18)19/h4-7H,3,8,20H2,1-2H3,(H,21,22)
InChIKey
DSFKAHAGJQSICI-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13658 170.9
[M+Na]+ 333.11852 181.0
[M-H]- 309.12202 171.5
[M+NH4]+ 328.16312 183.9
[M+K]+ 349.09246 174.2
[M+H-H2O]+ 293.12656 160.7
[M+HCOO]- 355.12750 187.6
[M+CH3COO]- 369.14315 207.6
[M+Na-2H]- 331.10397 172.0
[M]+ 310.12875 166.4
[M]- 310.12985 166.4
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.