CID 3018608

75627-28-0

Structural Information

Molecular Formula
C26H19N5O12S4
SMILES
C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)N)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C26H19N5O12S4/c27-19-7-8-21(17-2-1-3-25(26(17)19)47(41,42)43)29-28-20-9-10-22(18-12-14(44(32,33)34)4-6-16(18)20)30-31-23-13-15(45(35,36)37)5-11-24(23)46(38,39)40/h1-13H,27H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)
InChIKey
PLWCOSUGPWIJNB-UHFFFAOYSA-N
Compound name
2-[[4-[(4-amino-5-sulfonaphthalen-1-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

720.99133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.99861 236.6
[M+Na]+ 743.98055 243.8
[M+NH4]+ 739.02515 240.9
[M+K]+ 759.95449 241.4
[M-H]- 719.98405 235.2
[M+Na-2H]- 741.96600 261.4
[M]+ 720.99078 239.1
[M]- 720.99188 239.1
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