PubChemLite - Antioxidant 1024 (C34H52N2O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)

InChIKey

HCILJBJJZALOAL-UHFFFAOYSA-N

Compound name

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide

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]+	553.39998	238.5
[M+Na]+	575.38192	240.2
[M-H]-	551.38542	241.9
[M+NH4]+	570.42652	242.8
[M+K]+	591.35586	237.6
[M+H-H2O]+	535.38996	231.4
[M+HCOO]-	597.39090	247.9
[M+CH3COO]-	611.40655	259.8
[M+Na-2H]-	573.36737	236.2
[M]+	552.39215	242.2
[M]-	552.39325	242.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.39998

238.5

[M+Na]+

575.38192

240.2

[M-H]-

551.38542

241.9

[M+NH4]+

570.42652

242.8

[M+K]+

591.35586

237.6

[M+H-H2O]+

535.38996

231.4

[M+HCOO]-

597.39090

247.9

[M+CH3COO]-

611.40655

259.8

[M+Na-2H]-

573.36737

236.2

[M]+

552.39215

242.2

[M]-

552.39325

242.2

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

Antioxidant 1024

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe