CID 486862

Chembl188877

Structural Information

Molecular Formula
C17H20F2N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)F)F)N(C)C)C
InChI
InChI=1S/C17H20F2N2O/c1-5-14-10(2)20-17(22)16(21(3)4)15(14)8-11-6-12(18)9-13(19)7-11/h6-7,9H,5,8H2,1-4H3,(H,20,22)
InChIKey
NJYGNZPUWQWRQI-UHFFFAOYSA-N
Compound name
4-[(3,5-difluorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.15436 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16164 170.4
[M+Na]+ 329.14358 180.5
[M-H]- 305.14708 174.2
[M+NH4]+ 324.18818 184.7
[M+K]+ 345.11752 175.3
[M+H-H2O]+ 289.15162 160.4
[M+HCOO]- 351.15256 190.6
[M+CH3COO]- 365.16821 213.2
[M+Na-2H]- 327.12903 170.4
[M]+ 306.15381 170.7
[M]- 306.15491 170.7
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.