CID 16073290

Schembl2843414

Structural Information

Molecular Formula
C26H24FNO4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24FNO4/c1-16(2)31-23-13-20-21(14-22(23)30-15-17-7-5-4-6-8-17)32-25(24(20)26(29)28-3)18-9-11-19(27)12-10-18/h4-14,16H,15H2,1-3H3,(H,28,29)
InChIKey
HCFHOAOZMXJLAA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-phenylmethoxy-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

433.16895 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17623 206.6
[M+Na]+ 456.15817 214.3
[M-H]- 432.16167 217.4
[M+NH4]+ 451.20277 217.2
[M+K]+ 472.13211 210.5
[M+H-H2O]+ 416.16621 196.2
[M+HCOO]- 478.16715 227.8
[M+CH3COO]- 492.18280 233.1
[M+Na-2H]- 454.14362 206.3
[M]+ 433.16840 212.5
[M]- 433.16950 212.5
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

patents stripe