CID 16073539

Schembl2840382

Structural Information

Molecular Formula
C20H21FN2O5S
SMILES
CCCOC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NS(=O)(=O)C
InChI
InChI=1S/C20H21FN2O5S/c1-4-9-27-17-10-14-16(11-15(17)23-29(3,25)26)28-19(18(14)20(24)22-2)12-5-7-13(21)8-6-12/h5-8,10-11,23H,4,9H2,1-3H3,(H,22,24)
InChIKey
AMFJKLKJGSBRGL-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-propoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

420.1155 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12278 197.6
[M+Na]+ 443.10472 206.6
[M-H]- 419.10822 205.6
[M+NH4]+ 438.14932 209.5
[M+K]+ 459.07866 203.1
[M+H-H2O]+ 403.11276 189.4
[M+HCOO]- 465.11370 215.6
[M+CH3COO]- 479.12935 228.8
[M+Na-2H]- 441.09017 200.0
[M]+ 420.11495 205.9
[M]- 420.11605 205.9
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

patents stripe