CID 49768099

Schembl4602268

Structural Information

Molecular Formula
C22H18ClN3O5S
SMILES
COC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC3=CC(=CC(=C3)C#N)Cl
InChI
InChI=1S/C22H18ClN3O5S/c1-30-21-10-14(2-7-20(21)31-18-9-15(13-24)8-16(23)12-18)11-22(27)26-17-3-5-19(6-4-17)32(25,28)29/h2-10,12H,11H2,1H3,(H,26,27)(H2,25,28,29)
InChIKey
JHZCZRFBNLGYBW-UHFFFAOYSA-N
Compound name
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

471.06558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07286 221.7
[M+Na]+ 494.05480 231.4
[M-H]- 470.05830 229.4
[M+NH4]+ 489.09940 228.8
[M+K]+ 510.02874 224.5
[M+H-H2O]+ 454.06284 206.9
[M+HCOO]- 516.06378 231.8
[M+CH3COO]- 530.07943 241.4
[M+Na-2H]- 492.04025 220.8
[M]+ 471.06503 222.2
[M]- 471.06613 222.2
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