PubChemLite - 110546-20-8 (C34H54N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

LAVRPTJDIGXPLJ-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-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	236.8
[M+Na]+	545.40772	239.5
[M-H]-	521.41122	240.3
[M+NH4]+	540.45232	239.9
[M+K]+	561.38166	234.2
[M+H-H2O]+	505.41576	227.6
[M+HCOO]-	567.41670	239.4
[M+CH3COO]-	581.43235	250.6
[M+Na-2H]-	543.39317	233.7
[M]+	522.41795	236.4
[M]-	522.41905	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.42578

236.8

[M+Na]+

545.40772

239.5

[M-H]-

521.41122

240.3

[M+NH4]+

540.45232

239.9

[M+K]+

561.38166

234.2

[M+H-H2O]+

505.41576

227.6

[M+HCOO]-

567.41670

239.4

[M+CH3COO]-

581.43235

250.6

[M+Na-2H]-

543.39317

233.7

[M]+

522.41795

236.4

[M]-

522.41905

236.4

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

110546-20-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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