CID 13507

642-59-1

Structural Information

Molecular Formula
C20H14N2O10S3
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)
InChIKey
IRPXADUBAQAOKL-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

254
References

26832
Patents

537.9811 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.98838 212.9
[M+Na]+ 560.97032 221.8
[M+NH4]+ 556.01492 215.3
[M+K]+ 576.94426 215.1
[M-H]- 536.97382 212.8
[M+Na-2H]- 558.95577 218.2
[M]+ 537.98055 215.2
[M]- 537.98165 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe