CID 135853514

65151-33-9

Structural Information

Molecular Formula
C34H26N4O16S4
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)OC)N=NC5=C6C=CC(=CC6=CC(=C5O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C34H26N4O16S4/c1-53-27-13-17(3-9-25(27)35-37-31-23-7-5-21(55(41,42)43)11-19(23)15-29(33(31)39)57(47,48)49)18-4-10-26(28(14-18)54-2)36-38-32-24-8-6-22(56(44,45)46)12-20(24)16-30(34(32)40)58(50,51)52/h3-16,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)
InChIKey
ZINOOTSKJUSUNX-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[4-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

874.02264 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 875.02992 260.0
[M+Na]+ 897.01186 267.4
[M+NH4]+ 892.05646 264.6
[M+K]+ 912.98580 266.1
[M-H]- 873.01536 259.7
[M+Na-2H]- 894.99731 286.7
[M]+ 874.02209 263.1
[M]- 874.02319 263.1
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.