CID 16073518

2-(4-fluorophenyl)-4-methoxy-n3-methyl-6-[methyl(methylsulfonyl)amino]benzofuran-3,5-dicarboxamide

Structural Information

Molecular Formula
C20H20FN3O6S
SMILES
CNC(=O)C1=C(OC2=C1C(=C(C(=C2)N(C)S(=O)(=O)C)C(=O)N)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20FN3O6S/c1-23-20(26)16-15-13(30-17(16)10-5-7-11(21)8-6-10)9-12(24(2)31(4,27)28)14(19(22)25)18(15)29-3/h5-9H,1-4H3,(H2,22,25)(H,23,26)
InChIKey
UEZVUEDAHWNQMF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4-methoxy-3-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.10568 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11296 204.1
[M+Na]+ 472.09490 212.2
[M-H]- 448.09840 213.1
[M+NH4]+ 467.13950 214.5
[M+K]+ 488.06884 211.0
[M+H-H2O]+ 432.10294 195.6
[M+HCOO]- 494.10388 221.9
[M+CH3COO]- 508.11953 240.8
[M+Na-2H]- 470.08035 204.4
[M]+ 449.10513 212.4
[M]- 449.10623 212.4
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.