CID 109761

68214-02-8

Structural Information

Molecular Formula
C24H21N5O8S2
SMILES
COC1=CC(=C(C=C1N)OC)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H21N5O8S2/c1-36-23-13-22(24(37-2)12-19(23)25)29-28-21-9-8-20(17-7-6-16(11-18(17)21)39(33,34)35)27-26-14-4-3-5-15(10-14)38(30,31)32/h3-13H,25H2,1-2H3,(H,30,31,32)(H,33,34,35)
InChIKey
MTYDSCOJKAFILU-UHFFFAOYSA-N
Compound name
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.0831 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.09038 225.6
[M+Na]+ 594.07232 234.7
[M+NH4]+ 589.11692 228.4
[M+K]+ 610.04626 227.4
[M-H]- 570.07582 230.9
[M+Na-2H]- 592.05777 233.8
[M]+ 571.08255 228.9
[M]- 571.08365 228.9
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.