CID 49768082

Schembl4604245

Structural Information

Molecular Formula
C20H15Cl3N2O4S
SMILES
C1=CC(=C(C(=C1)Cl)OC2=C(C=C(C=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C20H15Cl3N2O4S/c21-15-2-1-3-16(22)20(15)29-18-9-4-12(10-17(18)23)11-19(26)25-13-5-7-14(8-6-13)30(24,27)28/h1-10H,11H2,(H,25,26)(H2,24,27,28)
InChIKey
RIGGASJUTVXLLM-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(2,6-dichlorophenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

483.9818 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.98908 203.6
[M+Na]+ 506.97102 212.5
[M-H]- 482.97452 212.0
[M+NH4]+ 502.01562 212.6
[M+K]+ 522.94496 205.3
[M+H-H2O]+ 466.97906 197.4
[M+HCOO]- 528.98000 207.7
[M+CH3COO]- 542.99565 233.2
[M+Na-2H]- 504.95647 203.7
[M]+ 483.98125 210.7
[M]- 483.98235 210.7
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