CID 3013315

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

Structural Information

Molecular Formula
C21H16N2O2
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c24-20(13-15-7-3-1-4-8-15)22-17-11-12-19-18(14-17)23-21(25-19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,24)
InChIKey
FUEFKLGMMYPOIE-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

328.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 176.4
[M+Na]+ 351.11042 184.5
[M-H]- 327.11392 186.8
[M+NH4]+ 346.15502 189.4
[M+K]+ 367.08436 179.6
[M+H-H2O]+ 311.11846 166.7
[M+HCOO]- 373.11940 199.9
[M+CH3COO]- 387.13505 187.9
[M+Na-2H]- 349.09587 182.6
[M]+ 328.12065 178.7
[M]- 328.12175 178.7
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

patents stripe