CID 135570902

Einecs 282-453-6

Structural Information

Molecular Formula
C22H18As2N4O14S2
SMILES
C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4O[As](O)O)O)O)O[As](O)O
InChI
InChI=1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(35,36)37)19(21)27-25-12-5-1-3-7-14(12)41-23(31)32)10-17(44(38,39)40)20(22(18)30)28-26-13-6-2-4-8-15(13)42-24(33)34/h1-10,29-34H,(H,35,36,37)(H,38,39,40)
InChIKey
WBJSHSAKDOZTQE-UHFFFAOYSA-N
Compound name
3,6-bis[(2-dihydroxyarsanyloxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.86926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.87654 234.8
[M+Na]+ 798.85848 240.4
[M+NH4]+ 793.90308 238.4
[M+K]+ 814.83242 238.1
[M-H]- 774.86198 232.0
[M+Na-2H]- 796.84393 258.2
[M]+ 775.86871 236.5
[M]- 775.86981 236.5
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.