CID 104204

52469-75-7

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
2
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 253.9
[M+Na]+ 815.06192 261.1
[M+NH4]+ 810.10652 259.3
[M+K]+ 831.03586 257.6
[M-H]- 791.06542 253.8
[M+Na-2H]- 813.04737 279.2
[M]+ 792.07215 257.7
[M]- 792.07325 257.7
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.