CID 6152304

8003-79-0

Structural Information

Molecular Formula
C32H25N9O7S2
SMILES
C1=CC(=CC=C1N)N=NC2=CC(=C3C=C/C(=N/NC4=CC=C(C=C4)N=NC5=C6C=CC(=CC6=C(C=C5)N)S(=O)(=O)O)/C(=O)C3=C2N)S(=O)(=O)O
InChI
InChI=1S/C32H25N9O7S2/c33-17-1-3-18(4-2-17)38-41-28-16-29(50(46,47)48)23-11-13-27(32(42)30(23)31(28)35)40-37-20-7-5-19(6-8-20)36-39-26-14-12-25(34)24-15-21(49(43,44)45)9-10-22(24)26/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48)/b39-36?,40-27-,41-38?
InChIKey
YMMBXGIGMZGSDO-SBHLOBKZSA-N
Compound name
(6Z)-4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

711.13184 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.13912 250.7
[M+Na]+ 734.12106 256.7
[M+NH4]+ 729.16566 255.5
[M+K]+ 750.09500 252.4
[M-H]- 710.12456 249.7
[M+Na-2H]- 732.10651 273.2
[M]+ 711.13129 253.9
[M]- 711.13239 253.9
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.