CID 16131096

4,4'-[(phenylmethylene)bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[3-hydroxy-n-phenylnaphthalene-2-carboxamide]

Structural Information

Molecular Formula
C57H46N6O4
SMILES
CC1=CC(=C(C=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O)C)C(C5=CC=CC=C5)C6=C(C=C(C(=C6)C)N=NC7=C(C(=CC8=CC=CC=C87)C(=O)NC9=CC=CC=C9)O)C
InChI
InChI=1S/C57H46N6O4/c1-34-30-49(60-62-52-43-26-16-14-20-39(43)32-47(54(52)64)56(66)58-41-22-10-6-11-23-41)36(3)28-45(34)51(38-18-8-5-9-19-38)46-29-37(4)50(31-35(46)2)61-63-53-44-27-17-15-21-40(44)33-48(55(53)65)57(67)59-42-24-12-7-13-25-42/h5-33,51,64-65H,1-4H3,(H,58,66)(H,59,67)
InChIKey
HTDSBCRUCKCOAP-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[4-[[4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]-phenylmethyl]-2,5-dimethylphenyl]diazenyl]-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

878.35803 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 879.36531 298.2
[M+Na]+ 901.34725 296.7
[M-H]- 877.35075 317.4
[M+NH4]+ 896.39185 287.6
[M+K]+ 917.32119 294.3
[M+H-H2O]+ 861.35529 277.2
[M+HCOO]- 923.35623 315.6
[M+CH3COO]- 937.37188 297.3
[M+Na-2H]- 899.33270 314.4
[M]+ 878.35748 298.6
[M]- 878.35858 298.6
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.