CID 10409873

Hcv-086

Structural Information

Molecular Formula
C20H21FN2O5S
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NS(=O)(=O)C
InChI
InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)
InChIKey
VBRUONUESYTIDA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

415
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 197.5
[M+Na]+ 443.10472 206.1
[M-H]- 419.10822 205.6
[M+NH4]+ 438.14932 209.4
[M+K]+ 459.07866 203.4
[M+H-H2O]+ 403.11276 189.5
[M+HCOO]- 465.11370 214.5
[M+CH3COO]- 479.12935 229.7
[M+Na-2H]- 441.09017 199.0
[M]+ 420.11495 205.3
[M]- 420.11605 205.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe