CID 16073277

Schembl2840631

Structural Information

Molecular Formula
C24H20FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)OCC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H20FNO4/c1-26-24(27)22-18-12-20(28-2)21(29-14-15-6-4-3-5-7-15)13-19(18)30-23(22)16-8-10-17(25)11-9-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKey
FICGTXNTELNZIL-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-phenylmethoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

405.13763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14491 197.1
[M+Na]+ 428.12685 206.1
[M-H]- 404.13035 208.1
[M+NH4]+ 423.17145 208.9
[M+K]+ 444.10079 202.1
[M+H-H2O]+ 388.13489 186.8
[M+HCOO]- 450.13583 220.0
[M+CH3COO]- 464.15148 208.0
[M+Na-2H]- 426.11230 199.0
[M]+ 405.13708 202.9
[M]- 405.13818 202.9
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