CID 801382

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

Structural Information

Molecular Formula
C18H11FN2O3
SMILES
C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H11FN2O3/c19-12-5-3-11(4-6-12)18-21-14-10-13(7-8-15(14)24-18)20-17(22)16-2-1-9-23-16/h1-10H,(H,20,22)
InChIKey
DDDPSTLQGDBNPN-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

322.07538 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08266 170.1
[M+Na]+ 345.06460 180.4
[M-H]- 321.06810 181.2
[M+NH4]+ 340.10920 184.4
[M+K]+ 361.03854 177.7
[M+H-H2O]+ 305.07264 161.8
[M+HCOO]- 367.07358 193.8
[M+CH3COO]- 381.08923 183.1
[M+Na-2H]- 343.05005 174.4
[M]+ 322.07483 174.1
[M]- 322.07593 174.1
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