CID 800507

301646-85-5

Structural Information

Molecular Formula
C20H13FN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H13FN2O2/c21-15-8-6-13(7-9-15)19(24)22-16-10-11-18-17(12-16)23-20(25-18)14-4-2-1-3-5-14/h1-12H,(H,22,24)
InChIKey
AZCHGUYGRTVTGQ-UHFFFAOYSA-N
Compound name
4-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

332.0961 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10338 175.5
[M+Na]+ 355.08532 185.1
[M-H]- 331.08882 185.1
[M+NH4]+ 350.12992 188.7
[M+K]+ 371.05926 179.9
[M+H-H2O]+ 315.09336 165.2
[M+HCOO]- 377.09430 198.3
[M+CH3COO]- 391.10995 187.3
[M+Na-2H]- 353.07077 180.9
[M]+ 332.09555 177.0
[M]- 332.09665 177.0
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