CID 5275494

4-morpholineacetamide, n-[2-(4-ethylphenyl)-5-benzoxazolyl]-

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C21H23N3O3/c1-2-15-3-5-16(6-4-15)21-23-18-13-17(7-8-19(18)27-21)22-20(25)14-24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKey
CYCMDMJYWOJJGD-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 187.9
[M+Na]+ 388.163168 193.8
[M-H]- 364.166674 196.7
[M+NH4]+ 383.207773 196.7
[M+K]+ 404.137108 190.8
[M+H-H2O]+ 348.171210 177.3
[M+HCOO]- 410.172151 204.9
[M+CH3COO]- 424.187801 197.3
[M+Na-2H]- 386.148616 190.7
[M]+ 365.17340142 188.8
[M]- 365.17449858 188.8
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.