CID 104204

85959-51-9

Structural Information

Molecular Formula
C32H24N8O11S3
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=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/c33-18-2-1-16-12-26(53(46,47)48)29(31(41)24(16)14-18)39-37-21-7-3-19(4-8-21)35-36-20-5-9-22(10-6-20)38-40-30-27(54(49,50)51)13-17-11-23(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
JDCOSWRVTRJEDB-UHFFFAOYSA-N
Compound name
5-amino-3-[[4-[[4-[(7-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
3
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]+ 793.079976 277.1
[M+Na]+ 815.061918 290.3
[M-H]- 791.065424 280.9
[M+NH4]+ 810.106523 284.2
[M+K]+ 831.035858 280.6
[M+H-H2O]+ 775.069960 262.9
[M+HCOO]- 837.070901 284.7
[M+CH3COO]- 851.086551 287.1
[M+Na-2H]- 813.047366 304.9
[M]+ 792.07215142 322.2
[M]- 792.07324858 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.