PubChemLite - Phenol 85 (C34H54N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H54N2O2/c1-31(2,3)25-17-23(18-26(29(25)37)32(4,5)6)21-35-13-15-36(16-14-35)22-24-19-27(33(7,8)9)30(38)28(20-24)34(10,11)12/h17-20,37-38H,13-16,21-22H2,1-12H3

InChIKey

BBGJFAYGMNGEIW-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]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]+	523.42578	240.0
[M+Na]+	545.40772	250.4
[M+NH4]+	540.45232	243.8
[M+K]+	561.38166	245.1
[M-H]-	521.41122	242.1
[M+Na-2H]-	543.39317	243.6
[M]+	522.41795	242.4
[M]-	522.41905	242.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.42578

240.0

[M+Na]+

545.40772

250.4

[M+NH4]+

540.45232

243.8

[M+K]+

561.38166

245.1

[M-H]-

521.41122

242.1

[M+Na-2H]-

543.39317

243.6

[M]+

522.41795

242.4

[M]-

522.41905

242.4

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

Phenol 85

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe