CID 16073241

2-(4-fluoro-phenyl)-5-isopropoxy-6-methylsulfamoyl-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C20H21FN2O5S
SMILES
CC1=CC2=C(C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(=C1OC(C)C)S(=O)(=O)N
InChI
InChI=1S/C20H21FN2O5S/c1-10(2)27-17-11(3)9-14-15(19(17)29(22,25)26)16(20(24)23-4)18(28-14)12-5-7-13(21)8-6-12/h5-10H,1-4H3,(H,23,24)(H2,22,25,26)
InChIKey
VMLFAMHTOYZKRC-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N,6-dimethyl-5-propan-2-yloxy-4-sulfamoyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1155 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12278 198.2
[M+Na]+ 443.10472 207.5
[M-H]- 419.10822 206.1
[M+NH4]+ 438.14932 210.0
[M+K]+ 459.07866 204.6
[M+H-H2O]+ 403.11276 190.4
[M+HCOO]- 465.11370 214.4
[M+CH3COO]- 479.12935 230.6
[M+Na-2H]- 441.09017 198.0
[M]+ 420.11495 205.4
[M]- 420.11605 205.4
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.