CID 16073259

Schembl2841677

Structural Information

Molecular Formula
C24H20F2N2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CN=C(C=C4)F
InChI
InChI=1S/C24H20F2N2O3/c1-13(2)30-19-11-18-20(10-17(19)15-6-9-21(26)28-12-15)31-23(22(18)24(29)27-3)14-4-7-16(25)8-5-14/h4-13H,1-3H3,(H,27,29)
InChIKey
PSCCVQQRVIIAMW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(6-fluoropyridin-3-yl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

422.1442 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15148 202.4
[M+Na]+ 445.13342 212.2
[M-H]- 421.13692 211.2
[M+NH4]+ 440.17802 212.4
[M+K]+ 461.10736 207.2
[M+H-H2O]+ 405.14146 190.8
[M+HCOO]- 467.14240 221.7
[M+CH3COO]- 481.15805 212.3
[M+Na-2H]- 443.11887 201.7
[M]+ 422.14365 206.2
[M]- 422.14475 206.2
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