CID 104206

52469-76-8

Structural Information

Molecular Formula
C32H24N8O11S3
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C32H24N8O11S3/c33-18-1-10-24-16(11-18)13-26(53(46,47)48)29(31(24)41)39-37-21-6-2-19(3-7-21)35-36-20-4-8-22(9-5-20)38-40-30-27(54(49,50)51)14-17-12-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)
InChIKey
HODRTVKYUWBYAT-UHFFFAOYSA-N
Compound name
5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.0727 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.07998 277.1
[M+Na]+ 815.06192 290.3
[M-H]- 791.06542 280.9
[M+NH4]+ 810.10652 284.2
[M+K]+ 831.03586 280.6
[M+H-H2O]+ 775.06996 262.9
[M+HCOO]- 837.07090 284.7
[M+CH3COO]- 851.08655 287.1
[M+Na-2H]- 813.04737 304.9
[M]+ 792.07215 322.2
[M]- 792.07325 322.2
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.