PubChemLite - [1,4-bis[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]methyl n,n-diethylcarbamate (C30H45N3O8)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)OCC1CN(CCN1CC2=CC(=C(C(=C2)OC)OC)OC)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C30H45N3O8/c1-9-32(10-2)30(34)41-20-23-19-31(17-21-13-24(35-3)28(39-7)25(14-21)36-4)11-12-33(23)18-22-15-26(37-5)29(40-8)27(16-22)38-6/h13-16,23H,9-12,17-20H2,1-8H3

InChIKey

HZKPNNXCEMZNHA-UHFFFAOYSA-N

Compound name

[1,4-bis[(3,4,5-trimethoxyphenyl)methyl]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]+	576.32798	241.6
[M+Na]+	598.30992	243.8
[M-H]-	574.31342	248.7
[M+NH4]+	593.35452	242.7
[M+K]+	614.28386	244.0
[M+H-H2O]+	558.31796	228.2
[M+HCOO]-	620.31890	256.4
[M+CH3COO]-	634.33455	264.9
[M+Na-2H]-	596.29537	235.3
[M]+	575.32015	253.5
[M]-	575.32125	253.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

576.32798

241.6

[M+Na]+

598.30992

243.8

[M-H]-

574.31342

248.7

[M+NH4]+

593.35452

242.7

[M+K]+

614.28386

244.0

[M+H-H2O]+

558.31796

228.2

[M+HCOO]-

620.31890

256.4

[M+CH3COO]-

634.33455

264.9

[M+Na-2H]-

596.29537

235.3

[M]+

575.32015

253.5

[M]-

575.32125

253.5

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe