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]+ 461.12778 208.1
[M+Na]+ 483.10972 222.0
[M+NH4]+ 478.15432 214.6
[M+K]+ 499.08366 212.0
[M-H]- 459.11322 216.5
[M+Na-2H]- 481.09517 218.7
[M]+ 460.11995 212.9
[M]- 460.12105 212.9
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.