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 258.7
[M+Na]+ 724.07782 271.9
[M-H]- 700.08132 261.3
[M+NH4]+ 719.12242 265.2
[M+K]+ 740.05176 261.1
[M+H-H2O]+ 684.08586 243.4
[M+HCOO]- 746.08680 266.3
[M+CH3COO]- 760.10245 269.4
[M+Na-2H]- 722.06327 283.6
[M]+ 701.08805 298.8
[M]- 701.08915 298.8
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.