CID 166196

71873-39-7

Structural Information

Molecular Formula
C24H21ClN4O6S2
SMILES
CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)Cl)C
InChI
InChI=1S/C24H21ClN4O6S2/c1-13-3-8-20(14(2)9-13)29-36(31,32)22-11-16(5-6-18(22)25)27-28-24-19(26)7-4-15-10-17(37(33,34)35)12-21(30)23(15)24/h3-12,29-30H,26H2,1-2H3,(H,33,34,35)
InChIKey
HXJBFPGICPYFTI-UHFFFAOYSA-N
Compound name
6-amino-5-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

560.0591 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.06638 225.9
[M+Na]+ 583.04832 233.4
[M-H]- 559.05182 235.3
[M+NH4]+ 578.09292 231.0
[M+K]+ 599.02226 226.8
[M+H-H2O]+ 543.05636 217.4
[M+HCOO]- 605.05730 234.4
[M+CH3COO]- 619.07295 256.4
[M+Na-2H]- 581.03377 232.5
[M]+ 560.05855 232.9
[M]- 560.05965 232.9
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.