CID 16073392

5-(difluoromethoxy)-2-(4-fluorophenyl)-n-methyl-6-[methyl(methylsulfonyl)amino]benzofuran-3-carboxamide

Structural Information

Molecular Formula
C19H17F3N2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC(F)F)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H17F3N2O5S/c1-23-18(25)16-12-8-15(29-19(21)22)13(24(2)30(3,26)27)9-14(12)28-17(16)10-4-6-11(20)7-5-10/h4-9,19H,1-3H3,(H,23,25)
InChIKey
WENIFQCWNXWLRS-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

442.08102 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.08830 198.4
[M+Na]+ 465.07024 207.6
[M-H]- 441.07374 205.3
[M+NH4]+ 460.11484 209.8
[M+K]+ 481.04418 205.5
[M+H-H2O]+ 425.07828 188.6
[M+HCOO]- 487.07922 214.1
[M+CH3COO]- 501.09487 235.1
[M+Na-2H]- 463.05569 198.6
[M]+ 442.08047 205.0
[M]- 442.08157 205.0
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