CID 135423193

Disodium 5-[[4'-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

Structural Information

Molecular Formula
C31H22N6O8S
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C(=C(C=C3)O)N=NC4=CC=C(C=C4)S(=O)(=O)O)O)N=NC5=CC(=C(C=C5)O)C(=O)O
InChI
InChI=1S/C31H22N6O8S/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45/h1-17,38-40H,(H,41,42)(H,43,44,45)
InChIKey
MFKIBHRWIGTPSD-UHFFFAOYSA-N
Compound name
5-[[4-[4-[[2,4-dihydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

368
Patents

638.122 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.12928 243.8
[M+Na]+ 661.11122 246.8
[M-H]- 637.11472 259.8
[M+NH4]+ 656.15582 242.0
[M+K]+ 677.08516 244.8
[M+H-H2O]+ 621.11926 229.1
[M+HCOO]- 683.12020 266.4
[M+CH3COO]- 697.13585 280.5
[M+Na-2H]- 659.09667 250.7
[M]+ 638.12145 248.2
[M]- 638.12255 248.2
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.