CID 465670

Chembl46745

Structural Information

Molecular Formula
C21H16FNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)OCC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H16FNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24)
InChIKey
YOFWGCVHYUMKOS-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-fluorophenoxy)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.11142 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11870 181.3
[M+Na]+ 372.10064 186.8
[M-H]- 348.10414 189.3
[M+NH4]+ 367.14524 192.9
[M+K]+ 388.07458 181.9
[M+H-H2O]+ 332.10868 170.4
[M+HCOO]- 394.10962 203.4
[M+CH3COO]- 408.12527 214.5
[M+Na-2H]- 370.08609 184.0
[M]+ 349.11087 180.5
[M]- 349.11197 180.5
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.