CID 109813

68227-35-0

Structural Information

Molecular Formula
C34H30N8O6
SMILES
COC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=CC(=C(C=C3O)O)N=NC4=C(C=C(C=C4)N=NC5=CC=CC=C5OC)OC)OC
InChI
InChI=1S/C34H30N8O6/c1-45-31-11-7-5-9-23(31)37-35-21-13-15-25(33(17-21)47-3)39-41-27-19-28(30(44)20-29(27)43)42-40-26-16-14-22(18-34(26)48-4)36-38-24-10-6-8-12-32(24)46-2/h5-20,43-44H,1-4H3
InChIKey
CDXNVAGJZXDFTH-UHFFFAOYSA-N
Compound name
4,6-bis[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.2288 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.23608 261.9
[M+Na]+ 669.21802 275.0
[M+NH4]+ 664.26262 265.4
[M+K]+ 685.19196 265.2
[M-H]- 645.22152 276.5
[M+Na-2H]- 667.20347 274.7
[M]+ 646.22825 267.7
[M]- 646.22935 267.7
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.