CID 746929

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

Structural Information

Molecular Formula
C20H13FN2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H13FN2O2/c21-15-8-6-14(7-9-15)20-23-17-12-16(10-11-18(17)25-20)22-19(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKey
VKKNZIIVEAHBOG-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.