CID 67018

117-33-9

Structural Information

Molecular Formula
C28H20N4O8S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)N=NC5=CC=C(C=C5)O
InChI
InChI=1S/C28H20N4O8S2/c33-23-12-10-22(11-13-23)30-29-20-6-1-17(2-7-20)18-3-8-21(9-4-18)31-32-28-25(34)14-5-19-15-24(41(35,36)37)16-26(27(19)28)42(38,39)40/h1-16,33-34H,(H,35,36,37)(H,38,39,40)
InChIKey
GWPGBRYJVGKLHH-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.07227 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.07955 231.0
[M+Na]+ 627.06149 242.7
[M+NH4]+ 622.10609 234.4
[M+K]+ 643.03543 234.2
[M-H]- 603.06499 238.1
[M+Na-2H]- 625.04694 242.0
[M]+ 604.07172 235.4
[M]- 604.07282 235.4
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.