CID 49768106

Schembl4604854

Structural Information

Molecular Formula
C23H20ClN3O4S
SMILES
CC1=C(C=CC(=C1C)OC2=CC(=CC(=C2)C#N)Cl)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C23H20ClN3O4S/c1-14-15(2)22(31-20-10-16(13-25)9-18(24)12-20)8-3-17(14)11-23(28)27-19-4-6-21(7-5-19)32(26,29)30/h3-10,12H,11H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKey
QUSOSZUYIYSEGW-UHFFFAOYSA-N
Compound name
2-[4-(3-chloro-5-cyanophenoxy)-2,3-dimethylphenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

469.0863 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.09358 224.0
[M+Na]+ 492.07552 234.3
[M-H]- 468.07902 231.9
[M+NH4]+ 487.12012 231.6
[M+K]+ 508.04946 226.7
[M+H-H2O]+ 452.08356 209.4
[M+HCOO]- 514.08450 233.6
[M+CH3COO]- 528.10015 243.1
[M+Na-2H]- 490.06097 221.6
[M]+ 469.08575 224.0
[M]- 469.08685 224.0
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