CID 16073232

Schembl2835855

Structural Information

Molecular Formula
C24H28FN3O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCN(CC4)C
InChI
InChI=1S/C24H28FN3O3/c1-15(2)30-21-13-18-20(14-19(21)28-11-9-27(4)10-12-28)31-23(22(18)24(29)26-3)16-5-7-17(25)8-6-16/h5-8,13-15H,9-12H2,1-4H3,(H,26,29)
InChIKey
WYEOXYOYJVDJEP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(4-methylpiperazin-1-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

425.21146 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21874 205.6
[M+Na]+ 448.20068 212.3
[M-H]- 424.20418 213.2
[M+NH4]+ 443.24528 213.9
[M+K]+ 464.17462 208.0
[M+H-H2O]+ 408.20872 194.2
[M+HCOO]- 470.20966 220.4
[M+CH3COO]- 484.22531 232.9
[M+Na-2H]- 446.18613 202.7
[M]+ 425.21091 206.7
[M]- 425.21201 206.7
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