PubChemLite - 228577-80-8 (C36H48N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2=CC=CC=C2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C36H48N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h13-22,39-40H,1-12H3

InChIKey

POJVJAYCXBJSCY-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]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]+	541.37888	245.5
[M+Na]+	563.36082	257.2
[M+NH4]+	558.40542	249.9
[M+K]+	579.33476	250.1
[M-H]-	539.36432	250.5
[M+Na-2H]-	561.34627	252.1
[M]+	540.37105	249.0
[M]-	540.37215	249.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.37888

245.5

[M+Na]+

563.36082

257.2

[M+NH4]+

558.40542

249.9

[M+K]+

579.33476

250.1

[M-H]-

539.36432

250.5

[M+Na-2H]-

561.34627

252.1

[M]+

540.37105

249.0

[M]-

540.37215

249.0

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

228577-80-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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