CID 16073249

Schembl2841412

Structural Information

Molecular Formula
C23H20FNO4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CC=CO4
InChI
InChI=1S/C23H20FNO4/c1-13(2)28-19-12-17-20(11-16(19)18-5-4-10-27-18)29-22(21(17)23(26)25-3)14-6-8-15(24)9-7-14/h4-13H,1-3H3,(H,25,26)
InChIKey
JUARNRCQTYNJRP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(furan-2-yl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

393.13763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14491 194.5
[M+Na]+ 416.12685 203.7
[M-H]- 392.13035 206.9
[M+NH4]+ 411.17145 207.6
[M+K]+ 432.10079 201.5
[M+H-H2O]+ 376.13489 186.8
[M+HCOO]- 438.13583 216.8
[M+CH3COO]- 452.15148 206.2
[M+Na-2H]- 414.11230 193.9
[M]+ 393.13708 201.2
[M]- 393.13818 201.2
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