CID 163114

66236-90-6

Structural Information

Molecular Formula
C26H24N6O7S
SMILES
CC(=O)NC1=CC(=CC=C1)N=NC2=CC(=C(C=C2OC)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)OC
InChI
InChI=1S/C26H24N6O7S/c1-14(33)28-16-5-4-6-17(10-16)29-30-20-12-24(39-3)21(13-23(20)38-2)31-32-26-19(27)8-7-15-9-18(40(35,36)37)11-22(34)25(15)26/h4-13,34H,27H2,1-3H3,(H,28,33)(H,35,36,37)
InChIKey
HLWRCVVNZPCMRS-UHFFFAOYSA-N
Compound name
5-[[4-[(3-acetamidophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1427 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.14998 229.1
[M+Na]+ 587.13192 234.0
[M-H]- 563.13542 241.4
[M+NH4]+ 582.17652 233.1
[M+K]+ 603.10586 232.5
[M+H-H2O]+ 547.13996 216.7
[M+HCOO]- 609.14090 251.7
[M+CH3COO]- 623.15655 271.8
[M+Na-2H]- 585.11737 235.3
[M]+ 564.14215 236.5
[M]- 564.14325 236.5
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.