CID 454827

Chembl367515

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C16H16N2O2/c1-3-11-8-12(16(19)17-10(11)2)9-15-18-13-6-4-5-7-14(13)20-15/h4-8H,3,9H2,1-2H3,(H,17,19)
InChIKey
BUYNMGMCEWNECY-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-ylmethyl)-5-ethyl-6-methyl-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 161.0
[M+Na]+ 291.11042 172.7
[M-H]- 267.11392 166.6
[M+NH4]+ 286.15502 176.3
[M+K]+ 307.08436 167.8
[M+H-H2O]+ 251.11846 152.9
[M+HCOO]- 313.11940 182.2
[M+CH3COO]- 327.13505 173.9
[M+Na-2H]- 289.09587 166.3
[M]+ 268.12065 165.2
[M]- 268.12175 165.2
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

No patent data available for this compound.