CID 135853776

Disodium 4-amino-5-hydroxy-3,6-bis((4-((4-hydroxyphenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate

Structural Information

Molecular Formula
C34H25N9O9S2
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)O)N)O
InChI
InChI=1S/C34H25N9O9S2/c35-31-30-19(17-28(53(47,48)49)32(31)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(44)14-10-24)18-29(54(50,51)52)33(34(30)46)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(45)16-12-25/h1-18,44-46H,35H2,(H,47,48,49)(H,50,51,52)
InChIKey
SOZKJLHKBHOTMJ-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxy-3,6-bis[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.12164 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.12892 278.0
[M+Na]+ 790.11086 289.6
[M-H]- 766.11436 280.8
[M+NH4]+ 785.15546 284.4
[M+K]+ 806.08480 281.2
[M+H-H2O]+ 750.11890 261.1
[M+HCOO]- 812.11984 284.8
[M+CH3COO]- 826.13549 287.3
[M+Na-2H]- 788.09631 308.7
[M]+ 767.12109 322.6
[M]- 767.12219 322.6
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.