CID 75310

1-naphthalenesulfonic acid, 8,8'-((1,1'-biphenyl)-4,4'-diylbis(2,1-diazenediyl))bis(7-hydroxy-, sodium salt (1:2)

Structural Information

Molecular Formula
C32H22N4O8S2
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O
InChI
InChI=1S/C32H22N4O8S2/c37-25-17-11-21-3-1-5-27(45(39,40)41)29(21)31(25)35-33-23-13-7-19(8-14-23)20-9-15-24(16-10-20)34-36-32-26(38)18-12-22-4-2-6-28(30(22)32)46(42,43)44/h1-18,37-38H,(H,39,40,41)(H,42,43,44)
InChIKey
WVLWRJCONHBLOT-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

654.0879 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.09518 244.2
[M+Na]+ 677.07712 249.6
[M-H]- 653.08062 256.3
[M+NH4]+ 672.12172 244.1
[M+K]+ 693.05106 245.5
[M+H-H2O]+ 637.08516 232.0
[M+HCOO]- 699.08610 257.1
[M+CH3COO]- 713.10175 273.0
[M+Na-2H]- 675.06257 257.3
[M]+ 654.08735 251.0
[M]- 654.08845 251.0
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.