CID 49768083

Schembl4604982

Structural Information

Molecular Formula
C21H17Cl3N2O4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)CC2=CC(=C(C=C2)OC3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C21H17Cl3N2O4S/c1-12-9-14(31(25,28)29)6-7-18(12)26-20(27)11-13-5-8-19(17(24)10-13)30-21-15(22)3-2-4-16(21)23/h2-10H,11H2,1H3,(H,26,27)(H2,25,28,29)
InChIKey
KQTUCXNDOISHNE-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(2,6-dichlorophenoxy)phenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

497.99747 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.00475 208.1
[M+Na]+ 520.98669 217.2
[M-H]- 496.99019 216.6
[M+NH4]+ 516.03129 216.8
[M+K]+ 536.96063 210.1
[M+H-H2O]+ 480.99473 201.9
[M+HCOO]- 542.99567 211.8
[M+CH3COO]- 557.01132 237.2
[M+Na-2H]- 518.97214 207.0
[M]+ 497.99692 215.9
[M]- 497.99802 215.9
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