CID 16073230

Schembl2840266

Structural Information

Molecular Formula
C26H24FN3O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=NC=C3)N4CCOCC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H24FN3O4/c1-28-26(31)24-20-14-23(33-16-17-6-8-29-9-7-17)21(30-10-12-32-13-11-30)15-22(20)34-25(24)18-2-4-19(27)5-3-18/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)
InChIKey
XDKRDMNWAULOAQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-5-(pyridin-4-ylmethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

461.17508 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.18236 211.5
[M+Na]+ 484.16430 217.9
[M-H]- 460.16780 222.3
[M+NH4]+ 479.20890 215.9
[M+K]+ 500.13824 213.9
[M+H-H2O]+ 444.17234 198.4
[M+HCOO]- 506.17328 226.8
[M+CH3COO]- 520.18893 219.3
[M+Na-2H]- 482.14975 211.7
[M]+ 461.17453 212.5
[M]- 461.17563 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

No patent data available for this compound.