CID 16073294

Schembl2867857

Structural Information

Molecular Formula
C22H20FN3O4
SMILES
CC1=NC(=NO1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C22H20FN3O4/c1-11(2)28-18-9-15-17(10-16(18)21-25-12(3)30-26-21)29-20(19(15)22(27)24-4)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H,24,27)
InChIKey
AQNMOZUFKCLTFB-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

409.1438 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15108 198.3
[M+Na]+ 432.13302 208.6
[M-H]- 408.13652 208.6
[M+NH4]+ 427.17762 208.2
[M+K]+ 448.10696 206.2
[M+H-H2O]+ 392.14106 189.0
[M+HCOO]- 454.14200 218.2
[M+CH3COO]- 468.15765 209.2
[M+Na-2H]- 430.11847 197.0
[M]+ 409.14325 206.0
[M]- 409.14435 206.0
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.