PubChemLite - 109423-00-9 (C26H46N8O2)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1)(C)C)N2CN3C4C5N(C3=O)CN(CN5C(=O)N4C2)C6CC(NC(C6)(C)C)(C)C)C

InChI

InChI=1S/C26H46N8O2/c1-23(2)9-17(10-24(3,4)27-23)29-13-31-19-20-33(21(31)35)15-30(16-34(20)22(36)32(19)14-29)18-11-25(5,6)28-26(7,8)12-18/h17-20,27-28H,9-16H2,1-8H3

InChIKey

KZURVTKPVNKEKH-UHFFFAOYSA-N

Compound name

3,9-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione

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]+	503.38164	229.9
[M+Na]+	525.36358	235.8
[M-H]-	501.36708	226.6
[M+NH4]+	520.40818	239.2
[M+K]+	541.33752	228.5
[M+H-H2O]+	485.37162	217.0
[M+HCOO]-	547.37256	221.1
[M+CH3COO]-	561.38821	231.1
[M+Na-2H]-	523.34903	219.7
[M]+	502.37381	221.9
[M]-	502.37491	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.38164

229.9

[M+Na]+

525.36358

235.8

[M-H]-

501.36708

226.6

[M+NH4]+

520.40818

239.2

[M+K]+

541.33752

228.5

[M+H-H2O]+

485.37162

217.0

[M+HCOO]-

547.37256

221.1

[M+CH3COO]-

561.38821

231.1

[M+Na-2H]-

523.34903

219.7

[M]+

502.37381

221.9

[M]-

502.37491

221.9

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

109423-00-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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