PubChemLite - Piperazine, 1,1'-(1,6-hexanediyl)bis(4-((2,3,4-trimethoxyphenyl)methyl)-, tetrahydrochloride (C34H54N4O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCCCN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC)OC)OC

InChI

InChI=1S/C34H54N4O6/c1-39-29-13-11-27(31(41-3)33(29)43-5)25-37-21-17-35(18-22-37)15-9-7-8-10-16-36-19-23-38(24-20-36)26-28-12-14-30(40-2)34(44-6)32(28)42-4/h11-14H,7-10,15-26H2,1-6H3

InChIKey

WOMRNMMEQGOUOQ-UHFFFAOYSA-N

Compound name

1-[(2,3,4-trimethoxyphenyl)methyl]-4-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]hexyl]piperazine

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]+	615.41164	258.7
[M+Na]+	637.39358	258.1
[M-H]-	613.39708	262.8
[M+NH4]+	632.43818	254.2
[M+K]+	653.36752	253.5
[M+H-H2O]+	597.40162	241.9
[M+HCOO]-	659.40256	264.8
[M+CH3COO]-	673.41821	266.6
[M+Na-2H]-	635.37903	250.0
[M]+	614.40381	263.2
[M]-	614.40491	263.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.41164

258.7

[M+Na]+

637.39358

258.1

[M-H]-

613.39708

262.8

[M+NH4]+

632.43818

254.2

[M+K]+

653.36752

253.5

[M+H-H2O]+

597.40162

241.9

[M+HCOO]-

659.40256

264.8

[M+CH3COO]-

673.41821

266.6

[M+Na-2H]-

635.37903

250.0

[M]+

614.40381

263.2

[M]-

614.40491

263.2

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

Piperazine, 1,1'-(1,6-hexanediyl)bis(4-((2,3,4-trimethoxyphenyl)methyl)-, tetrahydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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