CID 109814

68227-36-1

Structural Information

Molecular Formula
C36H34N8O4
SMILES
CC1=CC(=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=C(C=C3O)O)N=NC4=CC(=C(C=C4C)N=NC5=CC=CC=C5OC)C)OC)C
InChI
InChI=1S/C36H34N8O4/c1-21-11-13-26(22(2)15-21)38-37-25-12-14-28(36(18-25)48-6)40-43-31-19-32(34(46)20-33(31)45)44-42-30-17-23(3)29(16-24(30)4)41-39-27-9-7-8-10-35(27)47-5/h7-20,45-46H,1-6H3
InChIKey
KAEGQYSQPVJPSX-UHFFFAOYSA-N
Compound name
4-[[4-[(2,4-dimethylphenyl)diazenyl]-2-methoxyphenyl]diazenyl]-6-[[4-[(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.2703 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.27758 264.9
[M+Na]+ 665.25952 270.3
[M-H]- 641.26302 287.4
[M+NH4]+ 660.30412 266.6
[M+K]+ 681.23346 268.7
[M+H-H2O]+ 625.26756 246.5
[M+HCOO]- 687.26850 300.5
[M+CH3COO]- 701.28415 303.5
[M+Na-2H]- 663.24497 267.6
[M]+ 642.26975 274.2
[M]- 642.27085 274.2
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.