CID 172498

70210-45-6

Structural Information

Molecular Formula
C32H24N6O10S3
SMILES
C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N
InChI
InChI=1S/C32H24N6O10S3/c33-25-9-7-17-11-23(50(43,44)45)15-27(39)29(17)31(25)37-35-19-3-1-5-21(13-19)49(41,42)22-6-2-4-20(14-22)36-38-32-26(34)10-8-18-12-24(51(46,47)48)16-28(40)30(18)32/h1-16,39-40H,33-34H2,(H,43,44,45)(H,46,47,48)
InChIKey
VTTJCIRKXHFYIX-UHFFFAOYSA-N
Compound name
6-amino-5-[[3-[3-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

748.0716 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.07888 248.8
[M+Na]+ 771.06082 255.7
[M+NH4]+ 766.10542 253.4
[M+K]+ 787.03476 253.0
[M-H]- 747.06432 247.9
[M+Na-2H]- 769.04627 272.9
[M]+ 748.07105 251.7
[M]- 748.07215 251.7
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

patents stripe