CID 135853962

83733-25-9

Structural Information

Molecular Formula
C33H24N6O13S4
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)O)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC6=C(C=C(C=C6S(=O)(=O)O)S(=O)(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C33H24N6O13S4/c1-18-12-20(35-34-19-2-5-22(40)6-3-19)4-9-29(18)37-39-30-10-11-31(26-15-23(53(41,42)43)7-8-25(26)30)38-36-21-13-27-28(32(14-21)55(47,48)49)16-24(54(44,45)46)17-33(27)56(50,51)52/h2-17,40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)
InChIKey
OWRSEZJKRAKXFR-UHFFFAOYSA-N
Compound name
7-[[4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

840.02844 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 841.03572 257.0
[M+Na]+ 863.01766 264.6
[M+NH4]+ 858.06226 262.0
[M+K]+ 878.99160 262.0
[M-H]- 839.02116 256.9
[M+Na-2H]- 861.00311 283.2
[M]+ 840.02789 260.4
[M]- 840.02899 260.4
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.