CID 16223865

Schembl4604312

Structural Information

Molecular Formula
C22H15ClN4O4S
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)OC3=CC(=CC(=C3)C#N)C#N)Cl)S(=O)(=O)N
InChI
InChI=1S/C22H15ClN4O4S/c23-20-10-14(11-22(28)27-17-2-4-19(5-3-17)32(26,29)30)1-6-21(20)31-18-8-15(12-24)7-16(9-18)13-25/h1-10H,11H2,(H,27,28)(H2,26,29,30)
InChIKey
YCUMURZIMNMLPZ-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(3,5-dicyanophenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

466.05026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.05754 225.3
[M+Na]+ 489.03948 235.5
[M-H]- 465.04298 231.1
[M+NH4]+ 484.08408 230.5
[M+K]+ 505.01342 228.3
[M+H-H2O]+ 449.04752 208.8
[M+HCOO]- 511.04846 230.1
[M+CH3COO]- 525.06411 247.6
[M+Na-2H]- 487.02493 221.7
[M]+ 466.04971 219.7
[M]- 466.05081 219.7
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