CID 165425

6226-80-8

Structural Information

Molecular Formula
C24H20N4O7S2
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)C
InChI
InChI=1S/C24H20N4O7S2/c1-14-5-3-4-6-20(14)26-25-17-7-10-21(15(2)11-17)27-28-23-19-9-8-18(36(30,31)32)12-16(19)13-22(24(23)29)37(33,34)35/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35)
InChIKey
BJJVXUJLPKXFRE-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

540.07733 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.08461 220.8
[M+Na]+ 563.06655 231.5
[M+NH4]+ 558.11115 224.5
[M+K]+ 579.04049 223.2
[M-H]- 539.07005 226.1
[M+Na-2H]- 561.05200 229.3
[M]+ 540.07678 224.5
[M]- 540.07788 224.5
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.