PubChemLite - Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-(methoxymethyl)-2-oxoethyl]-3,4,5-trimethoxy- (C27H36ClN3O6)

Structural Information

Molecular Formula

SMILES

COCC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H36ClN3O6/c1-34-17-22(30-26(32)20-13-23(35-2)25(37-4)24(14-20)36-3)27(33)29-15-18-9-11-31(12-10-18)16-19-5-7-21(28)8-6-19/h5-8,13-14,18,22H,9-12,15-17H2,1-4H3,(H,29,33)(H,30,32)

InChIKey

OLSPSVZNIYJQSK-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

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]+	534.23653	226.8
[M+Na]+	556.21847	228.0
[M-H]-	532.22197	233.5
[M+NH4]+	551.26307	230.4
[M+K]+	572.19241	225.0
[M+H-H2O]+	516.22651	215.8
[M+HCOO]-	578.22745	238.5
[M+CH3COO]-	592.24310	252.4
[M+Na-2H]-	554.20392	222.4
[M]+	533.22870	232.2
[M]-	533.22980	232.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.23653

226.8

[M+Na]+

556.21847

228.0

[M-H]-

532.22197

233.5

[M+NH4]+

551.26307

230.4

[M+K]+

572.19241

225.0

[M+H-H2O]+

516.22651

215.8

[M+HCOO]-

578.22745

238.5

[M+CH3COO]-

592.24310

252.4

[M+Na-2H]-

554.20392

222.4

[M]+

533.22870

232.2

[M]-

533.22980

232.2

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

Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-(methoxymethyl)-2-oxoethyl]-3,4,5-trimethoxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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