CID 136160590

74082-14-7

Structural Information

Molecular Formula
C48H66N4O4
SMILES
CC(C)(C)C1=CC(=C(C(=C1C(C)(C)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C(=CC(=C4O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O)O)O)C(C)(C)C
InChI
InChI=1S/C48H66N4O4/c1-43(2,3)29-25-31(45(7,8)9)41(55)39(37(29)47(13,14)15)51-49-33-21-19-27(23-35(33)53)28-20-22-34(36(54)24-28)50-52-40-38(48(16,17)18)30(44(4,5)6)26-32(42(40)56)46(10,11)12/h19-26,53-56H,1-18H3
InChIKey
XJPUZGXLQKNJGS-UHFFFAOYSA-N
Compound name
3,4,6-tritert-butyl-2-[[2-hydroxy-4-[3-hydroxy-4-[(2,3,5-tritert-butyl-6-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.5084 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.51568 286.1
[M+Na]+ 785.49762 287.6
[M-H]- 761.50112 298.0
[M+NH4]+ 780.54222 282.7
[M+K]+ 801.47156 288.0
[M+H-H2O]+ 745.50566 274.7
[M+HCOO]- 807.50660 295.5
[M+CH3COO]- 821.52225 310.2
[M+Na-2H]- 783.48307 287.1
[M]+ 762.50785 292.6
[M]- 762.50895 292.6
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.