CID 225809

7145-97-3

Structural Information

Molecular Formula
C24H20As2N4O10
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3O)O)[As](=O)(O)O)N=NC4=CC(=C(C=C4O)O)[As](=O)(O)O
InChI
InChI=1S/C24H20As2N4O10/c31-21-11-23(33)19(9-17(21)25(35,36)37)29-27-15-5-1-13(2-6-15)14-3-7-16(8-4-14)28-30-20-10-18(26(38,39)40)22(32)12-24(20)34/h1-12,31-34H,(H2,35,36,37)(H2,38,39,40)
InChIKey
FJBJBBIFICYJMB-UHFFFAOYSA-N
Compound name
[5-[[4-[4-[(5-arsono-2,4-dihydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-2,4-dihydroxyphenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.9611 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.96838 239.3
[M+Na]+ 696.95032 241.8
[M-H]- 672.95382 247.0
[M+NH4]+ 691.99492 237.6
[M+K]+ 712.92426 241.3
[M+H-H2O]+ 656.95836 226.4
[M+HCOO]- 718.95930 256.6
[M+CH3COO]- 732.97495 258.7
[M+Na-2H]- 694.93577 253.2
[M]+ 673.96055 249.1
[M]- 673.96165 249.1
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.