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	239.0
[M+Na]+	563.36082	243.7
[M-H]-	539.36432	248.6
[M+NH4]+	558.40542	244.9
[M+K]+	579.33476	238.8
[M+H-H2O]+	523.36886	229.5
[M+HCOO]-	585.36980	253.2
[M+CH3COO]-	599.38545	261.9
[M+Na-2H]-	561.34627	239.3
[M]+	540.37105	243.1
[M]-	540.37215	243.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.37888

239.0

[M+Na]+

563.36082

243.7

[M-H]-

539.36432

248.6

[M+NH4]+

558.40542

244.9

[M+K]+

579.33476

238.8

[M+H-H2O]+

523.36886

229.5

[M+HCOO]-

585.36980

253.2

[M+CH3COO]-

599.38545

261.9

[M+Na-2H]-

561.34627

239.3

[M]+

540.37105

243.1

[M]-

540.37215

243.1

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

Patent stripe