CID 49768055

Schembl4602821

Structural Information

Molecular Formula
C24H19ClN4O4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC3=CC(=CC(=C3)C#N)C#N)Cl
InChI
InChI=1S/C24H19ClN4O4S/c1-29(2)34(31,32)21-6-4-19(5-7-21)28-24(30)13-16-3-8-23(22(25)12-16)33-20-10-17(14-26)9-18(11-20)15-27/h3-12H,13H2,1-2H3,(H,28,30)
InChIKey
AWORVKQZIZCNSA-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(3,5-dicyanophenoxy)phenyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

494.08154 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.08882 228.9
[M+Na]+ 517.07076 238.5
[M-H]- 493.07426 235.5
[M+NH4]+ 512.11536 233.8
[M+K]+ 533.04470 231.9
[M+H-H2O]+ 477.07880 211.8
[M+HCOO]- 539.07974 233.9
[M+CH3COO]- 553.09539 253.4
[M+Na-2H]- 515.05621 225.0
[M]+ 494.08099 225.0
[M]- 494.08209 225.0
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