CID 11511037

2-[[2-(3,5-difluorobenzoyl)-3-thienyl]oxy]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C20H16F2N2O5S2
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(SC=C2)C(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C20H16F2N2O5S2/c1-11-6-15(31(23,27)28)2-3-16(11)24-18(25)10-29-17-4-5-30-20(17)19(26)12-7-13(21)9-14(22)8-12/h2-9H,10H2,1H3,(H,24,25)(H2,23,27,28)
InChIKey
CFKHLJYUMWWDHO-UHFFFAOYSA-N
Compound name
2-[2-(3,5-difluorobenzoyl)thiophen-3-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

466.04688 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.05416 204.3
[M+Na]+ 489.03610 211.5
[M-H]- 465.03960 210.9
[M+NH4]+ 484.08070 213.6
[M+K]+ 505.01004 205.0
[M+H-H2O]+ 449.04414 194.7
[M+HCOO]- 511.04508 215.2
[M+CH3COO]- 525.06073 233.0
[M+Na-2H]- 487.02155 201.7
[M]+ 466.04633 206.9
[M]- 466.04743 206.9
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