CID 49768076

Schembl4602754

Structural Information

Molecular Formula
C21H15Cl2N3O4S
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)OC3=C(C=CC(=C3)C#N)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C21H15Cl2N3O4S/c22-17-7-1-14(12-24)10-20(17)30-19-8-2-13(9-18(19)23)11-21(27)26-15-3-5-16(6-4-15)31(25,28)29/h1-10H,11H2,(H,26,27)(H2,25,28,29)
InChIKey
RYEVJLXPBHMGOK-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

475.01602 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.02330 220.3
[M+Na]+ 498.00524 231.3
[M-H]- 474.00874 227.8
[M+NH4]+ 493.04984 228.1
[M+K]+ 513.97918 222.9
[M+H-H2O]+ 458.01328 206.9
[M+HCOO]- 520.01422 226.3
[M+CH3COO]- 534.02987 240.0
[M+Na-2H]- 495.99069 219.0
[M]+ 475.01547 220.9
[M]- 475.01657 220.9
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