CID 454809

Chembl177898

Structural Information

Molecular Formula
C17H17FN2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=C(O2)C=C(C=C3)F)C
InChI
InChI=1S/C17H17FN2O2/c1-3-11-8-12(17(21)19-10(11)2)4-7-16-20-14-6-5-13(18)9-15(14)22-16/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,21)
InChIKey
OCFMONVMNICUIH-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1274 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13468 168.9
[M+Na]+ 323.11662 181.2
[M-H]- 299.12012 173.4
[M+NH4]+ 318.16122 183.1
[M+K]+ 339.09056 175.5
[M+H-H2O]+ 283.12466 159.9
[M+HCOO]- 345.12560 188.7
[M+CH3COO]- 359.14125 181.1
[M+Na-2H]- 321.10207 172.4
[M]+ 300.12685 172.9
[M]- 300.12795 172.9
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.