CID 165595

Nsc 65557

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)O)C
InChI
InChI=1S/C24H20N4O4S/c1-15-5-3-4-6-21(15)26-25-18-8-11-22(16(2)13-18)27-28-24-20-10-9-19(33(30,31)32)14-17(20)7-12-23(24)29/h3-14,29H,1-2H3,(H,30,31,32)
InChIKey
FTJRRCJGWNWSIS-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.1205 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.127776 208.4
[M+Na]+ 483.109718 216.4
[M-H]- 459.113224 221.7
[M+NH4]+ 478.154323 218.1
[M+K]+ 499.083658 211.5
[M+H-H2O]+ 443.117760 197.1
[M+HCOO]- 505.118701 231.5
[M+CH3COO]- 519.134351 246.2
[M+Na-2H]- 481.095166 215.3
[M]+ 460.11995142 214.2
[M]- 460.12104858 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.