CID 21520

25317-39-9

Structural Information

Molecular Formula
C22H16N4O7S2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C22H16N4O7S2/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29,30)(H,31,32,33)
InChIKey
PIEQFSVTZMAUJA-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

3711
Patents

512.046 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.05328 210.2
[M+Na]+ 535.03522 220.7
[M+NH4]+ 530.07982 214.3
[M+K]+ 551.00916 212.6
[M-H]- 511.03872 215.5
[M+Na-2H]- 533.02067 219.7
[M]+ 512.04545 213.9
[M]- 512.04655 213.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe