CID 136003704

85776-14-3

Structural Information

Molecular Formula
C25H19Cl3N4O4S
SMILES
CN(C)S(=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/C25H19Cl3N4O4S/c1-32(2)37(35,36)22-13-19(27)21(12-20(22)28)30-31-23-17-6-4-3-5-14(17)11-18(24(23)33)25(34)29-16-9-7-15(26)8-10-16/h3-13,33H,1-2H3,(H,29,34)
InChIKey
ATWVGPGDGCEMSO-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

576.0193 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.02658 232.8
[M+Na]+ 599.00852 247.4
[M+NH4]+ 594.05312 239.0
[M+K]+ 614.98246 236.5
[M-H]- 575.01202 240.0
[M+Na-2H]- 596.99397 241.2
[M]+ 576.01875 238.3
[M]- 576.01985 238.3
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