CID 3013316

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

Structural Information

Molecular Formula
C21H15BrN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C21H15BrN2O2/c22-16-8-6-14(7-9-16)12-20(25)23-17-10-11-19-18(13-17)24-21(26-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,25)
InChIKey
XWPRXQUJZPHHQN-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

406.03168 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.03896 190.4
[M+Na]+ 429.02090 201.3
[M-H]- 405.02440 202.9
[M+NH4]+ 424.06550 204.4
[M+K]+ 444.99484 189.7
[M+H-H2O]+ 389.02894 187.6
[M+HCOO]- 451.02988 211.2
[M+CH3COO]- 465.04553 203.0
[M+Na-2H]- 427.00635 196.1
[M]+ 406.03113 211.3
[M]- 406.03223 211.3
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.