CID 165361159

Dtxsid201341326

Structural Information

Molecular Formula
C26H25N5O20S6
SMILES
C1=CC(=CC=C1N=NC2=C(C=C3C=C(C(=C(C3=C2N)O)N=NC4=C(C=CC(=C4)S(=O)(=O)CCOS(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O
InChI
InChI=1S/C26H25N5O20S6/c27-23-22-14(11-20(54(38,39)40)24(23)30-28-15-1-3-16(4-2-15)52(34,35)9-7-50-56(44,45)46)12-21(55(41,42)43)25(26(22)33)31-29-18-13-17(5-6-19(18)32)53(36,37)10-8-51-57(47,48)49/h1-6,11-13,32-33H,7-10,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)
InChIKey
HYHUWLPRXGTFEW-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-3-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

918.9417 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 919.94898 248.2
[M+Na]+ 941.93092 255.5
[M+NH4]+ 936.97552 252.7
[M+K]+ 957.90486 253.8
[M-H]- 917.93442 247.7
[M+Na-2H]- 939.91637 274.9
[M]+ 918.94115 251.2
[M]- 918.94225 251.2
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.