CID 16073425

2-(4-fluoro-phenyl)-6-(methanesulfonyl-methylcarbamoylmethyl-amino)-5-methoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C21H22FN3O6S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CS(=O)(=O)C)C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H22FN3O6S/c1-23-20(26)18-14-9-17(30-3)15(25(21(27)24-2)11-32(4,28)29)10-16(14)31-19(18)12-5-7-13(22)8-6-12/h5-10H,11H2,1-4H3,(H,23,26)(H,24,27)
InChIKey
ORGNQRCLBATUMA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[methylcarbamoyl(methylsulfonylmethyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.12134 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12862 208.3
[M+Na]+ 486.11056 215.5
[M-H]- 462.11406 217.5
[M+NH4]+ 481.15516 218.4
[M+K]+ 502.08450 214.3
[M+H-H2O]+ 446.11860 199.5
[M+HCOO]- 508.11954 226.6
[M+CH3COO]- 522.13519 241.4
[M+Na-2H]- 484.09601 209.9
[M]+ 463.12079 217.4
[M]- 463.12189 217.4
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.