CID 118969

36409-70-8

Structural Information

Molecular Formula
C24H20N4O7S2
SMILES
CCOC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O7S2/c1-2-35-18-7-3-16(4-8-18)25-27-23-13-14-24(22-15-20(37(32,33)34)11-12-21(22)23)28-26-17-5-9-19(10-6-17)36(29,30)31/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34)
InChIKey
WNHAIBNKSTUZAS-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyphenyl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.07733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.08461 218.8
[M+Na]+ 563.06655 229.4
[M+NH4]+ 558.11115 222.8
[M+K]+ 579.04049 220.5
[M-H]- 539.07005 224.4
[M+Na-2H]- 561.05200 228.4
[M]+ 540.07678 222.6
[M]- 540.07788 222.6
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.