74082-14-7 (C48H66N4O4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	763.515676	286.1
[M+Na]+	785.497618	287.6
[M-H]-	761.501124	298.0
[M+NH4]+	780.542223	282.7
[M+K]+	801.471558	288.0
[M+H-H2O]+	745.505660	274.7
[M+HCOO]-	807.506601	295.5
[M+CH3COO]-	821.522251	310.2
[M+Na-2H]-	783.483066	287.1
[M]+	762.50785142	292.6
[M]-	762.50894858	292.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

763.515676

286.1

[M+Na]+

785.497618

287.6

[M-H]-

761.501124

298.0

[M+NH4]+

780.542223

282.7

[M+K]+

801.471558

288.0

[M+H-H2O]+

745.505660

274.7

[M+HCOO]-

807.506601

295.5

[M+CH3COO]-

821.522251

310.2

[M+Na-2H]-

783.483066

287.1

[M]+

762.50785142

292.6

[M]-

762.50894858

292.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

74082-14-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe