CID 166409

Einecs 277-350-8

Structural Information

Molecular Formula
C26H34N4O6S2
SMILES
CCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)O)N
InChI
InChI=1S/C26H34N4O6S2/c1-2-3-4-5-6-7-8-11-16-28-37(32,33)24-13-10-9-12-22(24)29-30-26-21(27)15-14-19-17-20(38(34,35)36)18-23(31)25(19)26/h9-10,12-15,17-18,28,31H,2-8,11,16,27H2,1H3,(H,34,35,36)
InChIKey
BRIXFSJPRLWHBH-UHFFFAOYSA-N
Compound name
6-amino-5-[[2-(decylsulfamoyl)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.19196 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.19924 227.8
[M+Na]+ 585.18118 230.2
[M-H]- 561.18468 231.9
[M+NH4]+ 580.22578 231.5
[M+K]+ 601.15512 223.4
[M+H-H2O]+ 545.18922 217.7
[M+HCOO]- 607.19016 238.7
[M+CH3COO]- 621.20581 258.2
[M+Na-2H]- 583.16663 233.3
[M]+ 562.19141 233.8
[M]- 562.19251 233.8
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.