CID 16073292

Schembl2840697

Structural Information

Molecular Formula
C21H20FNO4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(=O)C
InChI
InChI=1S/C21H20FNO4/c1-11(2)26-17-10-16-18(9-15(17)12(3)24)27-20(19(16)21(25)23-4)13-5-7-14(22)8-6-13/h5-11H,1-4H3,(H,23,25)
InChIKey
MYEDIEUMMLJIDN-UHFFFAOYSA-N
Compound name
6-acetyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

369.13763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 187.6
[M+Na]+ 392.12685 196.4
[M-H]- 368.13035 195.7
[M+NH4]+ 387.17145 201.4
[M+K]+ 408.10079 193.8
[M+H-H2O]+ 352.13489 179.2
[M+HCOO]- 414.13583 208.6
[M+CH3COO]- 428.15148 222.7
[M+Na-2H]- 390.11230 186.9
[M]+ 369.13708 193.3
[M]- 369.13818 193.3
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