CID 171773

66214-52-6

Structural Information

Molecular Formula
C34H28N6O8S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)O)C)N=NC5=C(C=C6C=CC(=CC6=C5O)N)S(=O)(=O)O
InChI
InChI=1S/C34H28N6O8S2/c1-17-11-19(4-9-27(17)37-39-31-30(50(46,47)48)15-22-13-23(35)7-8-25(22)33(31)41)20-5-10-28(18(2)12-20)38-40-32-29(49(43,44)45)14-21-3-6-24(36)16-26(21)34(32)42/h3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)
InChIKey
ATLZWIYRVDEQFQ-UHFFFAOYSA-N
Compound name
6-amino-3-[[4-[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

712.141 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.14828 249.6
[M+Na]+ 735.13022 255.5
[M+NH4]+ 730.17482 253.7
[M+K]+ 751.10416 253.0
[M-H]- 711.13372 248.2
[M+Na-2H]- 733.11567 271.8
[M]+ 712.14045 252.0
[M]- 712.14155 252.0
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

patents stripe