PubChemLite - [1,4-bis(4-hydroxy-3,5-dimethoxy-benzoyl)piperazin-2-yl]methyl n,n-diethylcarbamate (C28H37N3O10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C28H37N3O10/c1-7-29(8-2)28(36)41-16-19-15-30(26(34)17-11-20(37-3)24(32)21(12-17)38-4)9-10-31(19)27(35)18-13-22(39-5)25(33)23(14-18)40-6/h11-14,19,32-33H,7-10,15-16H2,1-6H3

InChIKey

OTSUCKQGACTUOK-UHFFFAOYSA-N

Compound name

[1,4-bis(4-hydroxy-3,5-dimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate

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]+	576.25518	232.3
[M+Na]+	598.23712	234.0
[M-H]-	574.24062	237.5
[M+NH4]+	593.28172	231.7
[M+K]+	614.21106	235.4
[M+H-H2O]+	558.24516	220.6
[M+HCOO]-	620.24610	243.8
[M+CH3COO]-	634.26175	259.7
[M+Na-2H]-	596.22257	225.2
[M]+	575.24735	240.3
[M]-	575.24845	240.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

576.25518

232.3

[M+Na]+

598.23712

234.0

[M-H]-

574.24062

237.5

[M+NH4]+

593.28172

231.7

[M+K]+

614.21106

235.4

[M+H-H2O]+

558.24516

220.6

[M+HCOO]-

620.24610

243.8

[M+CH3COO]-

634.26175

259.7

[M+Na-2H]-

596.22257

225.2

[M]+

575.24735

240.3

[M]-

575.24845

240.3

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

[1,4-bis(4-hydroxy-3,5-dimethoxy-benzoyl)piperazin-2-yl]methyl n,n-diethylcarbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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