CID 16073484

Schembl2836617

Structural Information

Molecular Formula
C21H23FN2O5S
SMILES
CC(C)(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC)NS(=O)(=O)C
InChI
InChI=1S/C21H23FN2O5S/c1-21(2,24-30(5,26)27)15-11-16-14(10-17(15)28-4)18(20(25)23-3)19(29-16)12-6-8-13(22)9-7-12/h6-11,24H,1-5H3,(H,23,25)
InChIKey
QNJYXRNPDOCBMK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[2-(methanesulfonamido)propan-2-yl]-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

434.13116 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13844 202.0
[M+Na]+ 457.12038 210.7
[M-H]- 433.12388 210.1
[M+NH4]+ 452.16498 213.5
[M+K]+ 473.09432 208.0
[M+H-H2O]+ 417.12842 194.3
[M+HCOO]- 479.12936 218.2
[M+CH3COO]- 493.14501 232.2
[M+Na-2H]- 455.10583 205.4
[M]+ 434.13061 210.1
[M]- 434.13171 210.1
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