CID 3013318

2-(4-butoxyphenyl)-n-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

Structural Information

Molecular Formula
C25H24N2O3
SMILES
CCCCOC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O3/c1-2-3-15-29-21-12-9-18(10-13-21)16-24(28)26-20-11-14-23-22(17-20)27-25(30-23)19-7-5-4-6-8-19/h4-14,17H,2-3,15-16H2,1H3,(H,26,28)
InChIKey
ZNXOMLMTEPWLMA-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

400.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 198.4
[M+Na]+ 423.16790 205.2
[M-H]- 399.17140 208.4
[M+NH4]+ 418.21250 208.5
[M+K]+ 439.14184 200.3
[M+H-H2O]+ 383.17594 187.7
[M+HCOO]- 445.17688 220.5
[M+CH3COO]- 459.19253 208.2
[M+Na-2H]- 421.15335 201.7
[M]+ 400.17813 203.6
[M]- 400.17923 203.6
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.