CID 136075959

Dtxsid90890139

Structural Information

Molecular Formula
C33H23N7O10S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C(C=C6C=CC(=CC6=C5O)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C33H23N7O10S2/c34-18-2-1-17-13-30(52(48,49)50)31(32(42)24(17)14-18)40-39-27-10-11-28(25-16-22(51(45,46)47)8-9-23(25)27)38-36-20-5-3-19(4-6-20)35-37-21-7-12-29(41)26(15-21)33(43)44/h1-16,41-42H,34H2,(H,43,44)(H,45,46,47)(H,48,49,50)
InChIKey
QJUYHBNEKMIKEY-UHFFFAOYSA-N
Compound name
5-[[4-[[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

741.0948 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.10208 252.0
[M+Na]+ 764.08402 258.6
[M+NH4]+ 759.12862 257.0
[M+K]+ 780.05796 255.3
[M-H]- 740.08752 251.5
[M+Na-2H]- 762.06947 276.0
[M]+ 741.09425 255.4
[M]- 741.09535 255.4
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.