CID 876081

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenylacetamide

Structural Information

Molecular Formula
C21H15FN2O2
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H15FN2O2/c22-16-8-6-15(7-9-16)21-24-18-13-17(10-11-19(18)26-21)23-20(25)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,25)
InChIKey
LPCKYWHDWOZGSR-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

346.11176 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11904 180.2
[M+Na]+ 369.10098 189.3
[M-H]- 345.10448 189.6
[M+NH4]+ 364.14558 192.7
[M+K]+ 385.07492 183.9
[M+H-H2O]+ 329.10902 169.6
[M+HCOO]- 391.10996 202.6
[M+CH3COO]- 405.12561 191.5
[M+Na-2H]- 367.08643 185.0
[M]+ 346.11121 182.0
[M]- 346.11231 182.0
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.