CID 486518

Schembl5623755

Structural Information

Molecular Formula
C22H17Cl3N2O5S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H17Cl3N2O5S/c1-12-6-17(33(26,30)31)3-4-19(12)27-21(28)11-32-20-5-2-14(23)10-18(20)22(29)13-7-15(24)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,28)(H2,26,30,31)
InChIKey
SQYAYOZLUGPINH-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(3,5-dichlorobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

525.9924 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.99968 212.0
[M+Na]+ 548.98162 220.3
[M-H]- 524.98512 220.6
[M+NH4]+ 544.02622 219.4
[M+K]+ 564.95556 213.9
[M+H-H2O]+ 508.98966 205.9
[M+HCOO]- 570.99060 215.0
[M+CH3COO]- 585.00625 242.3
[M+Na-2H]- 546.96707 210.2
[M]+ 525.99185 220.5
[M]- 525.99295 220.5
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

No patent data available for this compound.