CID 3013305

Chembl390922

Structural Information

Molecular Formula
C22H16ClFN2O2
SMILES
C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C22H16ClFN2O2/c23-16-5-1-15(2-6-16)12-22-26-19-13-18(9-10-20(19)28-22)25-21(27)11-14-3-7-17(24)8-4-14/h1-10,13H,11-12H2,(H,25,27)
InChIKey
NSASGEBXKACHAO-UHFFFAOYSA-N
Compound name
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.08844 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09572 193.2
[M+Na]+ 417.07766 203.5
[M-H]- 393.08116 202.4
[M+NH4]+ 412.12226 205.0
[M+K]+ 433.05160 196.5
[M+H-H2O]+ 377.08570 182.9
[M+HCOO]- 439.08664 210.6
[M+CH3COO]- 453.10229 203.9
[M+Na-2H]- 415.06311 196.1
[M]+ 394.08789 198.2
[M]- 394.08899 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.