CID 136029261

Dtxsid10888937

Structural Information

Molecular Formula
C24H17Cl3N4O4S
SMILES
CNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)O)Cl
InChI
InChI=1S/C24H17Cl3N4O4S/c1-28-36(34,35)21-12-18(26)20(11-19(21)27)30-31-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)29-15-8-6-14(25)7-9-15/h2-12,28,32H,1H3,(H,29,33)
InChIKey
GWQQAACKGZMTTJ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-[[2,5-dichloro-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

562.0036 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.01088 224.8
[M+Na]+ 584.99282 233.5
[M-H]- 560.99632 235.3
[M+NH4]+ 580.03742 232.0
[M+K]+ 600.96676 227.4
[M+H-H2O]+ 545.00086 217.5
[M+HCOO]- 607.00180 231.2
[M+CH3COO]- 621.01745 255.9
[M+Na-2H]- 582.97827 228.0
[M]+ 562.00305 234.1
[M]- 562.00415 234.1
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

No patent data available for this compound.