PubChemLite - 129230-03-1 (C32H36ClN3O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)NC3=CC=CC=C3Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C32H36ClN3O10/c1-40-24-13-19(14-25(41-2)28(24)44-5)30(37)35-11-12-36(31(38)20-15-26(42-3)29(45-6)27(16-20)43-4)21(17-35)18-46-32(39)34-23-10-8-7-9-22(23)33/h7-10,13-16,21H,11-12,17-18H2,1-6H3,(H,34,39)

InChIKey

WZODACLMDWREJD-UHFFFAOYSA-N

Compound name

[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(2-chlorophenyl)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]+	658.21618	248.8
[M+Na]+	680.19812	251.6
[M-H]-	656.20162	258.4
[M+NH4]+	675.24272	246.0
[M+K]+	696.17206	251.6
[M+H-H2O]+	640.20616	235.3
[M+HCOO]-	702.20710	257.9
[M+CH3COO]-	716.22275	272.4
[M+Na-2H]-	678.18357	242.8
[M]+	657.20835	260.4
[M]-	657.20945	260.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.21618

248.8

[M+Na]+

680.19812

251.6

[M-H]-

656.20162

258.4

[M+NH4]+

675.24272

246.0

[M+K]+

696.17206

251.6

[M+H-H2O]+

640.20616

235.3

[M+HCOO]-

702.20710

257.9

[M+CH3COO]-

716.22275

272.4

[M+Na-2H]-

678.18357

242.8

[M]+

657.20835

260.4

[M]-

657.20945

260.4

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

129230-03-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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