CID 454838

Chembl177191

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCC1=CNC(=O)C(=C1)CCC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C16H16N2O2/c1-2-11-9-12(16(19)17-10-11)7-8-15-18-13-5-3-4-6-14(13)20-15/h3-6,9-10H,2,7-8H2,1H3,(H,17,19)
InChIKey
GYMVKFBOCODOGD-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 160.6
[M+Na]+ 291.11042 171.4
[M-H]- 267.11392 165.8
[M+NH4]+ 286.15502 175.5
[M+K]+ 307.08436 166.5
[M+H-H2O]+ 251.11846 152.3
[M+HCOO]- 313.11940 181.8
[M+CH3COO]- 327.13505 173.1
[M+Na-2H]- 289.09587 166.7
[M]+ 268.12065 164.4
[M]- 268.12175 164.4
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.