CID 136058662

Chromate(1-), (4-((8-(aminosulfonyl)-1-(hydroxy-kappao)-2-naphthalenyl)azo-kappan1)-3-(hydroxy-kappao)-1-naphthalenesulfonato(3-))hydroxy-, sodium, (t-4)-

Structural Information

Molecular Formula
C20H15N3O7S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C4=C(C=CC=C4S(=O)(=O)N)C=C3)O)O)S(=O)(=O)O
InChI
InChI=1S/C20H15N3O7S2/c21-31(26,27)16-7-3-4-11-8-9-14(20(25)18(11)16)22-23-19-13-6-2-1-5-12(13)17(10-15(19)24)32(28,29)30/h1-10,24-25H,(H2,21,26,27)(H,28,29,30)
InChIKey
QRERKNRJPLSZBQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(1-hydroxy-8-sulfamoylnaphthalen-2-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.03516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.04244 201.7
[M+Na]+ 496.02438 212.8
[M+NH4]+ 491.06898 206.3
[M+K]+ 511.99832 205.4
[M-H]- 472.02788 204.7
[M+Na-2H]- 494.00983 208.4
[M]+ 473.03461 204.9
[M]- 473.03571 204.9
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.