CID 49768047

Schembl4603317

Structural Information

Molecular Formula
C20H15BrCl2N2O4S
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)OC3=C(C=CC(=C3)Cl)Br)Cl)S(=O)(=O)N
InChI
InChI=1S/C20H15BrCl2N2O4S/c21-16-7-2-13(22)11-19(16)29-18-8-1-12(9-17(18)23)10-20(26)25-14-3-5-15(6-4-14)30(24,27)28/h1-9,11H,10H2,(H,25,26)(H2,24,27,28)
InChIKey
PCTCCTGRYCGXQK-UHFFFAOYSA-N
Compound name
2-[4-(2-bromo-5-chlorophenoxy)-3-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

527.9313 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.93858 197.6
[M+Na]+ 550.92052 209.3
[M-H]- 526.92402 209.0
[M+NH4]+ 545.96512 208.7
[M+K]+ 566.89446 194.2
[M+H-H2O]+ 510.92856 196.3
[M+HCOO]- 572.92950 204.9
[M+CH3COO]- 586.94515 235.7
[M+Na-2H]- 548.90597 200.4
[M]+ 527.93075 221.8
[M]- 527.93185 221.8
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