PubChemLite - 129230-07-5 (C32H45N3O10)

Structural Information

Molecular Formula

SMILES

CC(C)CC(C)NC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C32H45N3O10/c1-19(2)12-20(3)33-32(38)45-18-23-17-34(30(36)21-13-24(39-4)28(43-8)25(14-21)40-5)10-11-35(23)31(37)22-15-26(41-6)29(44-9)27(16-22)42-7/h13-16,19-20,23H,10-12,17-18H2,1-9H3,(H,33,38)

InChIKey

VJAMGEUEUBUVCW-UHFFFAOYSA-N

Compound name

[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate

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]+	632.31778	247.4
[M+Na]+	654.29972	247.4
[M-H]-	630.30322	253.2
[M+NH4]+	649.34432	245.1
[M+K]+	670.27366	249.6
[M+H-H2O]+	614.30776	235.2
[M+HCOO]-	676.30870	258.0
[M+CH3COO]-	690.32435	273.3
[M+Na-2H]-	652.28517	238.1
[M]+	631.30995	257.9
[M]-	631.31105	257.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

632.31778

247.4

[M+Na]+

654.29972

247.4

[M-H]-

630.30322

253.2

[M+NH4]+

649.34432

245.1

[M+K]+

670.27366

249.6

[M+H-H2O]+

614.30776

235.2

[M+HCOO]-

676.30870

258.0

[M+CH3COO]-

690.32435

273.3

[M+Na-2H]-

652.28517

238.1

[M]+

631.30995

257.9

[M]-

631.31105

257.9

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

129230-07-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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