CID 368038

Nsc638360

Structural Information

Molecular Formula
C26H20N6O6S2
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N=NNC3=CC=C(C=C3)NN=NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O
InChI
InChI=1S/C26H20N6O6S2/c33-39(34,35)21-11-13-23-17(15-21)3-1-5-25(23)29-31-27-19-7-9-20(10-8-19)28-32-30-26-6-2-4-18-16-22(40(36,37)38)12-14-24(18)26/h1-16H,(H,27,29)(H,28,30)(H,33,34,35)(H,36,37,38)
InChIKey
MPCGEPODJHZZME-UHFFFAOYSA-N
Compound name
5-[[4-[2-(6-sulfonaphthalen-1-yl)iminohydrazinyl]anilino]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.08856 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.09584 221.8
[M+Na]+ 599.07778 227.3
[M-H]- 575.08128 233.2
[M+NH4]+ 594.12238 226.0
[M+K]+ 615.05172 222.4
[M+H-H2O]+ 559.08582 210.5
[M+HCOO]- 621.08676 240.3
[M+CH3COO]- 635.10241 265.5
[M+Na-2H]- 597.06323 238.5
[M]+ 576.08801 227.9
[M]- 576.08911 227.9
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.