CID 103300

65152-15-0

Structural Information

Molecular Formula
C34H28N6O9S3
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=CC(=C6C=C(C=CC6=C5N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C34H28N6O9S3/c1-18-13-20(7-11-27(18)37-39-29-16-31(51(44,45)46)23-5-3-4-6-24(23)33(29)35)21-8-12-28(19(2)14-21)38-40-30-17-32(52(47,48)49)26-15-22(50(41,42)43)9-10-25(26)34(30)36/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)
InChIKey
LPDJNRARTIPIAW-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

760.108 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.11528 252.7
[M+Na]+ 783.09722 259.4
[M+NH4]+ 778.14182 257.2
[M+K]+ 799.07116 256.6
[M-H]- 759.10072 251.7
[M+Na-2H]- 781.08267 276.6
[M]+ 760.10745 255.5
[M]- 760.10855 255.5
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.