PubChemLite - 63843-89-0 (C42H72N2O5)

Structural Information

Molecular Formula

SMILES

CCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C

InChI

InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3

InChIKey

FLPKSBDJMLUTEX-UHFFFAOYSA-N

Compound name

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

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]+	685.55138	249.0
[M+Na]+	707.53332	250.9
[M-H]-	683.53682	252.4
[M+NH4]+	702.57792	254.4
[M+K]+	723.50726	251.1
[M+H-H2O]+	667.54136	244.2
[M+HCOO]-	729.54230	247.7
[M+CH3COO]-	743.55795	282.0
[M+Na-2H]-	705.51877	246.4
[M]+	684.54355	254.9
[M]-	684.54465	254.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

685.55138

249.0

[M+Na]+

707.53332

250.9

[M-H]-

683.53682

252.4

[M+NH4]+

702.57792

254.4

[M+K]+

723.50726

251.1

[M+H-H2O]+

667.54136

244.2

[M+HCOO]-

729.54230

247.7

[M+CH3COO]-

743.55795

282.0

[M+Na-2H]-

705.51877

246.4

[M]+

684.54355

254.9

[M]-

684.54465

254.9

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

63843-89-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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