CID 16073524

Schembl2862961

Structural Information

Molecular Formula
C20H16FN3O4
SMILES
CC1=NN=C(O1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C20H16FN3O4/c1-10-23-24-20(27-10)14-9-16-13(8-15(14)26-3)17(19(25)22-2)18(28-16)11-4-6-12(21)7-5-11/h4-9H,1-3H3,(H,22,25)
InChIKey
CJDONKFTOIQPEW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

381.1125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11978 188.7
[M+Na]+ 404.10172 200.3
[M-H]- 380.10522 199.3
[M+NH4]+ 399.14632 199.9
[M+K]+ 420.07566 197.8
[M+H-H2O]+ 364.10976 179.6
[M+HCOO]- 426.11070 210.3
[M+CH3COO]- 440.12635 200.7
[M+Na-2H]- 402.08717 189.6
[M]+ 381.11195 196.4
[M]- 381.11305 196.4
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

patents stripe