CID 454798

2-pyridinone derivative 10

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=C(O2)CCCC3)C
InChI
InChI=1S/C17H22N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h10H,3-9H2,1-2H3,(H,18,20)
InChIKey
VSINVLGFRQQWPG-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)ethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

286.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.9
[M+Na]+ 309.15734 177.1
[M-H]- 285.16084 173.1
[M+NH4]+ 304.20194 183.2
[M+K]+ 325.13128 172.5
[M+H-H2O]+ 269.16538 160.6
[M+HCOO]- 331.16632 185.4
[M+CH3COO]- 345.18197 179.7
[M+Na-2H]- 307.14279 170.8
[M]+ 286.16757 169.2
[M]- 286.16867 169.2
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

patents stripe