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]+ 366.18123 187.9
[M+Na]+ 388.16317 193.8
[M-H]- 364.16667 196.7
[M+NH4]+ 383.20777 196.7
[M+K]+ 404.13711 190.8
[M+H-H2O]+ 348.17121 177.3
[M+HCOO]- 410.17215 204.9
[M+CH3COO]- 424.18780 197.3
[M+Na-2H]- 386.14862 190.7
[M]+ 365.17340 188.8
[M]- 365.17450 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.