CID 486865

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

Structural Information

Molecular Formula
C15H17FN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)F)N)C
InChI
InChI=1S/C15H17FN2O/c1-3-12-9(2)18-15(19)14(17)13(12)8-10-5-4-6-11(16)7-10/h4-7H,3,8,17H2,1-2H3,(H,18,19)
InChIKey
MBBQSHHUUCJGLX-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-4-[(3-fluorophenyl)methyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13976 159.6
[M+Na]+ 283.12170 169.5
[M-H]- 259.12520 162.8
[M+NH4]+ 278.16630 174.7
[M+K]+ 299.09564 163.4
[M+H-H2O]+ 243.12974 151.0
[M+HCOO]- 305.13068 180.5
[M+CH3COO]- 319.14633 199.3
[M+Na-2H]- 281.10715 161.7
[M]+ 260.13193 157.6
[M]- 260.13303 157.6
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.