CID 16073520

Schembl2839801

Structural Information

Molecular Formula
C21H17FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=CC=CO3)NS(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O5S/c1-23-21(25)19-15-10-14(17-4-3-9-28-17)16(24-30(2,26)27)11-18(15)29-20(19)12-5-7-13(22)8-6-12/h3-11,24H,1-2H3,(H,23,25)
InChIKey
PZPUKXYYJDMJDU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-(furan-2-yl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

428.08423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.09151 199.7
[M+Na]+ 451.07345 210.1
[M-H]- 427.07695 212.6
[M+NH4]+ 446.11805 211.8
[M+K]+ 467.04739 207.6
[M+H-H2O]+ 411.08149 193.1
[M+HCOO]- 473.08243 219.1
[M+CH3COO]- 487.09808 228.1
[M+Na-2H]- 449.05890 201.9
[M]+ 428.08368 207.7
[M]- 428.08478 207.7
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