CID 454353

145901-83-3

Structural Information

Molecular Formula
C15H17FN2O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2F)C
InChI
InChI=1S/C15H17FN2O/c1-3-11-8-14(15(19)18-10(11)2)17-9-12-6-4-5-7-13(12)16/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKey
CVRFXFQKHFJKTF-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-fluorophenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.13248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13976 158.7
[M+Na]+ 283.12170 167.7
[M-H]- 259.12520 162.1
[M+NH4]+ 278.16630 173.8
[M+K]+ 299.09564 161.9
[M+H-H2O]+ 243.12974 149.9
[M+HCOO]- 305.13068 180.3
[M+CH3COO]- 319.14633 198.6
[M+Na-2H]- 281.10715 162.7
[M]+ 260.13193 157.4
[M]- 260.13303 157.4
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.