PubChemLite - 2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-cyclohexylphenol] (C44H52N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N=NC4=C(C=CC(=C4)C5CCCCC5)O)C)N=NC6=C(C=CC(=C6)C7CCCCC7)O

InChI

InChI=1S/C44H52N4O2/c1-30-26-36(18-20-38(30)45-47-40-28-34(16-22-42(40)49)32-12-6-3-7-13-32)44(24-10-5-11-25-44)37-19-21-39(31(2)27-37)46-48-41-29-35(17-23-43(41)50)33-14-8-4-9-15-33/h16-23,26-29,32-33,49-50H,3-15,24-25H2,1-2H3

InChIKey

QMPUCZGGNKXEQF-UHFFFAOYSA-N

Compound name

4-cyclohexyl-2-[[4-[1-[4-[(5-cyclohexyl-2-hydroxyphenyl)diazenyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]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]+	669.41628	263.0
[M+Na]+	691.39822	259.1
[M-H]-	667.40172	280.5
[M+NH4]+	686.44282	261.5
[M+K]+	707.37216	252.6
[M+H-H2O]+	651.40626	243.9
[M+HCOO]-	713.40720	276.2
[M+CH3COO]-	727.42285	263.8
[M+Na-2H]-	689.38367	257.0
[M]+	668.40845	250.9
[M]-	668.40955	250.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

669.41628

263.0

[M+Na]+

691.39822

259.1

[M-H]-

667.40172

280.5

[M+NH4]+

686.44282

261.5

[M+K]+

707.37216

252.6

[M+H-H2O]+

651.40626

243.9

[M+HCOO]-

713.40720

276.2

[M+CH3COO]-

727.42285

263.8

[M+Na-2H]-

689.38367

257.0

[M]+

668.40845

250.9

[M]-

668.40955

250.9

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

2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-cyclohexylphenol]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe