CID 135484919

Nsc673315

Structural Information

Molecular Formula
C28H20N4O8
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)N=NC3=C(C=C(C=C3O)O)C(=O)O)N=NC4=C(C=C(C=C4O)O)C(=O)O
InChI
InChI=1S/C28H20N4O8/c33-19-11-21(27(37)38)25(23(35)13-19)31-29-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)30-32-26-22(28(39)40)12-20(34)14-24(26)36/h1-14,33-36H,(H,37,38)(H,39,40)/b2-1+,31-29?,32-30?
InChIKey
GLLALTPDLQQQPB-QJBXUYTKSA-N
Compound name
2-[[4-[(E)-2-[4-[(2-carboxy-4,6-dihydroxyphenyl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]-3,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.1281 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.13538 224.9
[M+Na]+ 563.11732 228.7
[M-H]- 539.12082 235.7
[M+NH4]+ 558.16192 226.1
[M+K]+ 579.09126 226.3
[M+H-H2O]+ 523.12536 212.1
[M+HCOO]- 585.12630 247.3
[M+CH3COO]- 599.14195 258.0
[M+Na-2H]- 561.10277 225.1
[M]+ 540.12755 226.3
[M]- 540.12865 226.3
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.