CID 16073543

2-(4-fluoro-phenyl)-5-methoxy-6-[1,3,4]oxadiazol-2-yl-benzofuran-2-carboxylic acid methylamide

Structural Information

Molecular Formula
C19H16FN3O4
SMILES
CNC(=O)C1(CC2=CC(=C(C=C2O1)C3=NN=CO3)OC)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H16FN3O4/c1-21-18(24)19(12-3-5-13(20)6-4-12)9-11-7-16(25-2)14(8-15(11)27-19)17-23-22-10-26-17/h3-8,10H,9H2,1-2H3,(H,21,24)
InChIKey
DMGKSTBTIODGHP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(1,3,4-oxadiazol-2-yl)-3H-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11978 182.4
[M+Na]+ 392.10172 191.9
[M-H]- 368.10522 191.9
[M+NH4]+ 387.14632 195.4
[M+K]+ 408.07566 190.0
[M+H-H2O]+ 352.10976 173.3
[M+HCOO]- 414.11070 201.8
[M+CH3COO]- 428.12635 193.8
[M+Na-2H]- 390.08717 184.8
[M]+ 369.11195 186.5
[M]- 369.11305 186.5
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.