CID 135542346

56405-32-4

Structural Information

Molecular Formula
C22H19N7O7S2
SMILES
C1=CC(=CC=C1N)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)N)N)O
InChI
InChI=1S/C22H19N7O7S2/c23-12-1-5-14(6-2-12)26-28-20-16(37(31,32)33)9-11-10-17(38(34,35)36)21(22(30)18(11)19(20)25)29-27-15-7-3-13(24)4-8-15/h1-10,30H,23-25H2,(H,31,32,33)(H,34,35,36)
InChIKey
MWGYDKYSOKEURI-UHFFFAOYSA-N
Compound name
4-amino-3,6-bis[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

557.07874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.08602 218.2
[M+Na]+ 580.06796 224.9
[M+NH4]+ 575.11256 220.2
[M+K]+ 596.04190 222.3
[M-H]- 556.07146 223.6
[M+Na-2H]- 578.05341 241.8
[M]+ 557.07819 220.9
[M]- 557.07929 220.9
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

patents stripe