PubChemLite - Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]methylamino]-2-oxoethyl]-3-(trifluoromethyl)- (C24H27ClF3N3O2)

Structural Information

Molecular Formula

SMILES

CN(CC1CCN(CC1)CC2=CC=C(C=C2)Cl)C(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H27ClF3N3O2/c1-30(15-18-9-11-31(12-10-18)16-17-5-7-21(25)8-6-17)22(32)14-29-23(33)19-3-2-4-20(13-19)24(26,27)28/h2-8,13,18H,9-12,14-16H2,1H3,(H,29,33)

InChIKey

WFVLTECWQSEELO-UHFFFAOYSA-N

Compound name

N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl-methylamino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

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]+	482.18166	213.2
[M+Na]+	504.16360	216.2
[M-H]-	480.16710	217.2
[M+NH4]+	499.20820	219.6
[M+K]+	520.13754	210.0
[M+H-H2O]+	464.17164	200.2
[M+HCOO]-	526.17258	221.9
[M+CH3COO]-	540.18823	242.1
[M+Na-2H]-	502.14905	210.3
[M]+	481.17383	209.3
[M]-	481.17493	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.18166

213.2

[M+Na]+

504.16360

216.2

[M-H]-

480.16710

217.2

[M+NH4]+

499.20820

219.6

[M+K]+

520.13754

210.0

[M+H-H2O]+

464.17164

200.2

[M+HCOO]-

526.17258

221.9

[M+CH3COO]-

540.18823

242.1

[M+Na-2H]-

502.14905

210.3

[M]+

481.17383

209.3

[M]-

481.17493

209.3

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]methylamino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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