CID 16073544

Schembl2839372

Structural Information

Molecular Formula
C22H19FN2O4S2
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=CC=CS3)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H19FN2O4S2/c1-24-22(26)20-16-11-15(19-5-4-10-30-19)17(25(2)31(3,27)28)12-18(16)29-21(20)13-6-8-14(23)9-7-13/h4-12H,1-3H3,(H,24,26)
InChIKey
BNOOJOZRSXWSAW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-thiophen-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

458.07703 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08431 208.8
[M+Na]+ 481.06625 218.9
[M-H]- 457.06975 221.6
[M+NH4]+ 476.11085 221.9
[M+K]+ 497.04019 215.0
[M+H-H2O]+ 441.07429 202.3
[M+HCOO]- 503.07523 223.7
[M+CH3COO]- 517.09088 235.0
[M+Na-2H]- 479.05170 208.7
[M]+ 458.07648 217.6
[M]- 458.07758 217.6
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