CID 136056691

71097-30-8

Structural Information

Molecular Formula
C32H23N5O10S2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)O)O)N=NC5=C(C6=C(C=C5)C=C(C=C6)N)O
InChI
InChI=1S/C32H23N5O10S2/c33-20-4-6-23-18(11-20)3-10-26(31(23)40)36-34-24-8-1-16(13-27(24)38)17-2-9-25(28(39)14-17)35-37-30-22-7-5-21(48(42,43)44)12-19(22)15-29(32(30)41)49(45,46)47/h1-15,38-41H,33H2,(H,42,43,44)(H,45,46,47)
InChIKey
ULKQWUSMDYFFTF-UHFFFAOYSA-N
Compound name
4-[[4-[4-[(6-amino-1-hydroxynaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

701.0886 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.09588 244.9
[M+Na]+ 724.07782 250.9
[M+NH4]+ 719.12242 249.0
[M+K]+ 740.05176 249.2
[M-H]- 700.08132 243.4
[M+Na-2H]- 722.06327 267.5
[M]+ 701.08805 247.2
[M]- 701.08915 247.2
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.