CID 136075902

Einecs 280-272-7

Structural Information

Molecular Formula
C34H27N7O8S2
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C=C2)N=NC3=CC=C(C=C3)NC4=CC=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O)O
InChI
InChI=1S/C34H27N7O8S2/c35-28-19-27(50(44,45)46)16-20-17-31(51(47,48)49)33(34(43)32(20)28)41-39-25-12-8-23(9-13-25)36-22-6-10-24(11-7-22)38-40-29-15-14-26(18-30(29)42)37-21-4-2-1-3-5-21/h1-19,36-37,42-43H,35H2,(H,44,45,46)(H,47,48,49)
InChIKey
XUYYYCMWTNHILY-UHFFFAOYSA-N
Compound name
5-amino-3-[[4-[4-[(4-anilino-2-hydroxyphenyl)diazenyl]anilino]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

725.1362 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.14348 254.7
[M+Na]+ 748.12542 260.7
[M+NH4]+ 743.17002 259.1
[M+K]+ 764.09936 257.1
[M-H]- 724.12892 253.5
[M+Na-2H]- 746.11087 277.0
[M]+ 725.13565 257.5
[M]- 725.13675 257.5
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.