CID 165651

2-naphthalenesulfonic acid, 3-(2-(4-(2-(4-amino-6(or 7)-sulfo-1-naphthalenyl)diazenyl)phenyl)diazenyl)-6-(2-(2,4-diaminophenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)

Structural Information

Molecular Formula
C32H25N9O7S2
SMILES
C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)O)N=NC4=C(C=C5C=CC(=CC5=C4O)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)O
InChI
InChI=1S/C32H25N9O7S2/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)25-16-22(49(43,44)45)8-9-23(25)28/h1-16,42H,33-35H2,(H,43,44,45)(H,46,47,48)
InChIKey
QHUUYELCGHLOKW-UHFFFAOYSA-N
Compound name
3-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-6-[(2,4-diaminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

711.13184 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.13912 267.3
[M+Na]+ 734.12106 279.5
[M-H]- 710.12456 269.7
[M+NH4]+ 729.16566 274.1
[M+K]+ 750.09500 272.4
[M+H-H2O]+ 694.12910 251.6
[M+HCOO]- 756.13004 274.8
[M+CH3COO]- 770.14569 277.5
[M+Na-2H]- 732.10651 298.0
[M]+ 711.13129 314.2
[M]- 711.13239 314.2
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.