CID 368047

Nsc638365

Structural Information

Molecular Formula
C32H24N6O8S2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=CC(=C(C=C3)CCC4=C(C=C(C=C4)N=NC5=C6C=CC=NC6=C(C=C5)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C32H24N6O8S2/c39-27-13-11-25(23-3-1-15-33-31(23)27)37-35-21-9-7-19(29(17-21)47(41,42)43)5-6-20-8-10-22(18-30(20)48(44,45)46)36-38-26-12-14-28(40)32-24(26)4-2-16-34-32/h1-4,7-18,39-40H,5-6H2,(H,41,42,43)(H,44,45,46)
InChIKey
BRJWTKPYBRTZLY-UHFFFAOYSA-N
Compound name
5-[(8-hydroxyquinolin-5-yl)diazenyl]-2-[2-[4-[(8-hydroxyquinolin-5-yl)diazenyl]-2-sulfophenyl]ethyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

684.1097 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.11698 249.1
[M+Na]+ 707.09892 254.3
[M-H]- 683.10242 259.0
[M+NH4]+ 702.14352 245.4
[M+K]+ 723.07286 249.3
[M+H-H2O]+ 667.10696 236.6
[M+HCOO]- 729.10790 259.8
[M+CH3COO]- 743.12355 277.8
[M+Na-2H]- 705.08437 263.1
[M]+ 684.10915 256.3
[M]- 684.11025 256.3
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.