CID 92917

2,7-naphthalenedisulfonic acid, 6-amino-4-hydroxy-3-((7-sulfo-4-((4-sulfophenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt

Structural Information

Molecular Formula
C26H19N5O12S4
SMILES
C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C(C5=CC(=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)N)O)S(=O)O)S(=O)(=O)O
InChI
InChI=1S/C26H19N5O12S4/c27-20-12-18-13(9-23(20)46(38,39)40)10-24(47(41,42)43)25(26(18)32)31-30-22-8-7-21(17-6-3-15(44(33)34)11-19(17)22)29-28-14-1-4-16(5-2-14)45(35,36)37/h1-12,32H,27H2,(H,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)
InChIKey
YZMWNIRZNFGXTC-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxy-3-[[7-sulfino-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2052
Patents

720.99133 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.99861 251.0
[M+Na]+ 743.98055 264.7
[M-H]- 719.98405 254.9
[M+NH4]+ 739.02515 258.2
[M+K]+ 759.95449 253.0
[M+H-H2O]+ 703.98859 239.2
[M+HCOO]- 765.98953 259.4
[M+CH3COO]- 780.00518 262.4
[M+Na-2H]- 741.96600 274.2
[M]+ 720.99078 293.0
[M]- 720.99188 293.0
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.