CID 454808

Chembl177256

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=C(O2)C=C(C=C3)C)C
InChI
InChI=1S/C18H20N2O2/c1-4-13-10-14(18(21)19-12(13)3)6-8-17-20-15-7-5-11(2)9-16(15)22-17/h5,7,9-10H,4,6,8H2,1-3H3,(H,19,21)
InChIKey
KSSDELUFSUQQIN-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.6
[M+Na]+ 319.14169 182.4
[M-H]- 295.14519 176.3
[M+NH4]+ 314.18629 185.1
[M+K]+ 335.11563 177.0
[M+H-H2O]+ 279.14973 162.4
[M+HCOO]- 341.15067 191.1
[M+CH3COO]- 355.16632 183.0
[M+Na-2H]- 317.12714 174.1
[M]+ 296.15192 176.0
[M]- 296.15302 176.0
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.