CID 4128273

Dtxsid901375603

Structural Information

Molecular Formula
C28H24N10O7S2
SMILES
C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)O)N=NC3=CC(=C(C=C3)N=NC4=C(C=C(C=C4)N)N)S(=O)(=O)O)O)N=NC5=C(C=C(C=C5)N)N
InChI
InChI=1S/C28H24N10O7S2/c29-15-2-6-22(20(31)10-15)35-33-17-4-1-14-9-26(47(43,44)45)27(28(39)19(14)12-17)38-34-18-5-8-24(25(13-18)46(40,41)42)37-36-23-7-3-16(30)11-21(23)32/h1-13,39H,29-32H2,(H,40,41,42)(H,43,44,45)
InChIKey
ADRMADAIKSWNOR-UHFFFAOYSA-N
Compound name
6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]-3-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

133
Patents

676.1271 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.13438 262.3
[M+Na]+ 699.11632 273.0
[M-H]- 675.11982 263.6
[M+NH4]+ 694.16092 268.4
[M+K]+ 715.09026 268.0
[M+H-H2O]+ 659.12436 246.6
[M+HCOO]- 721.12530 269.1
[M+CH3COO]- 735.14095 271.9
[M+Na-2H]- 697.10177 295.3
[M]+ 676.12655 306.5
[M]- 676.12765 306.5
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.