CID 493815

2-[2-(3-chloro-5-cyano-benzoyl)phenoxy]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C23H18ClN3O5S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=CC=CC=C2C(=O)C3=CC(=CC(=C3)C#N)Cl
InChI
InChI=1S/C23H18ClN3O5S/c1-14-8-18(33(26,30)31)6-7-20(14)27-22(28)13-32-21-5-3-2-4-19(21)23(29)16-9-15(12-25)10-17(24)11-16/h2-11H,13H2,1H3,(H,27,28)(H2,26,30,31)
InChIKey
ADKOOCZFHNGDIF-UHFFFAOYSA-N
Compound name
2-[2-(3-chloro-5-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

483.06558 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07286 226.3
[M+Na]+ 506.05480 235.5
[M-H]- 482.05830 233.9
[M+NH4]+ 501.09940 232.8
[M+K]+ 522.02874 228.5
[M+H-H2O]+ 466.06284 211.6
[M+HCOO]- 528.06378 235.3
[M+CH3COO]- 542.07943 244.2
[M+Na-2H]- 504.04025 224.0
[M]+ 483.06503 226.1
[M]- 483.06613 226.1
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.