CID 136154379

Phenol, 2,2'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-nonyl-

Structural Information

Molecular Formula
C44H58N4O2
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC(=C4)CCCCCCCCC)O)C)C
InChI
InChI=1S/C44H58N4O2/c1-5-7-9-11-13-15-17-19-35-21-27-43(49)41(31-35)47-45-39-25-23-37(29-33(39)3)38-24-26-40(34(4)30-38)46-48-42-32-36(22-28-44(42)50)20-18-16-14-12-10-8-6-2/h21-32,49-50H,5-20H2,1-4H3
InChIKey
KTVOLKQQNNIGGM-UHFFFAOYSA-N
Compound name
2-[[4-[4-[(2-hydroxy-5-nonylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

338
Patents

674.456 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.46328 281.3
[M+Na]+ 697.44522 281.3
[M-H]- 673.44872 293.4
[M+NH4]+ 692.48982 280.6
[M+K]+ 713.41916 273.2
[M+H-H2O]+ 657.45326 264.6
[M+HCOO]- 719.45420 304.3
[M+CH3COO]- 733.46985 296.2
[M+Na-2H]- 695.43067 275.3
[M]+ 674.45545 289.4
[M]- 674.45655 289.4
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

patents stripe