CID 4614205

32884-46-1

Structural Information

Molecular Formula
C20H14N2O11S3
SMILES
C1=CC2=C(C=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)O)C=C1S(=O)(=O)O
InChI
InChI=1S/C20H14N2O11S3/c23-16-6-1-10-7-12(34(25,26)27)2-4-14(10)18(16)21-22-19-15-5-3-13(35(28,29)30)8-11(15)9-17(20(19)24)36(31,32)33/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)
InChIKey
MFSTXKTXCOJDPY-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

553.97595 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.98323 215.7
[M+Na]+ 576.96517 223.8
[M+NH4]+ 572.00977 217.2
[M+K]+ 592.93911 218.1
[M-H]- 552.96867 214.8
[M+Na-2H]- 574.95062 220.1
[M]+ 553.97540 217.6
[M]- 553.97650 217.6
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.