CID 5275503

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholino-acetamide

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C23H27N3O3/c1-23(2,3)17-6-4-16(5-7-17)22-25-19-14-18(8-9-20(19)29-22)24-21(27)15-26-10-12-28-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKey
VULTVHOHGHSYFE-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.20523 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 197.2
[M+Na]+ 416.19445 202.7
[M-H]- 392.19795 206.1
[M+NH4]+ 411.23905 205.1
[M+K]+ 432.16839 200.0
[M+H-H2O]+ 376.20249 187.1
[M+HCOO]- 438.20343 212.0
[M+CH3COO]- 452.21908 206.0
[M+Na-2H]- 414.17990 200.2
[M]+ 393.20468 198.3
[M]- 393.20578 198.3
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.