CID 135445682

Arsenazo iii

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=C4[As](=O)(O)O)O)O)[As](=O)(O)O
InChI
InChI=1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey
UQHVTNUJRKELCE-UHFFFAOYSA-N
Compound name
3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

228
References

146
Patents

775.86926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.87654 225.6
[M+Na]+ 798.85848 231.2
[M+NH4]+ 793.90308 229.0
[M+K]+ 814.83242 229.6
[M-H]- 774.86198 222.7
[M+Na-2H]- 796.84393 247.7
[M]+ 775.86871 227.0
[M]- 775.86981 227.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe