CID 16073424

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

Structural Information

Molecular Formula
C22H23FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(C)S(=O)(=O)CC3CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN2O5S/c1-24-22(26)20-16-10-19(29-3)17(25(2)31(27,28)12-13-4-5-13)11-18(16)30-21(20)14-6-8-15(23)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKey
ORIMCZLXZGSSHG-UHFFFAOYSA-N
Compound name
6-[cyclopropylmethylsulfonyl(methyl)amino]-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.13116 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13844 195.2
[M+Na]+ 469.12038 204.7
[M-H]- 445.12388 207.4
[M+NH4]+ 464.16498 201.9
[M+K]+ 485.09432 201.1
[M+H-H2O]+ 429.12842 187.4
[M+HCOO]- 491.12936 213.2
[M+CH3COO]- 505.14501 237.1
[M+Na-2H]- 467.10583 197.0
[M]+ 446.13061 206.4
[M]- 446.13171 206.4
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.