CID 1126403

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

Structural Information

Molecular Formula
C20H12F2N2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C20H12F2N2O2/c21-14-5-1-12(2-6-14)19(25)23-16-9-10-18-17(11-16)24-20(26-18)13-3-7-15(22)8-4-13/h1-11H,(H,23,25)
InChIKey
FXCRQVAEJJCHHP-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.08667 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09395 179.3
[M+Na]+ 373.07589 189.9
[M-H]- 349.07939 187.9
[M+NH4]+ 368.12049 192.0
[M+K]+ 389.04983 184.2
[M+H-H2O]+ 333.08393 168.1
[M+HCOO]- 395.08487 201.0
[M+CH3COO]- 409.10052 190.8
[M+Na-2H]- 371.06134 183.3
[M]+ 350.08612 180.3
[M]- 350.08722 180.3
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.