PubChemLite - Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2-methylpropyl]-3-(trifluoromethoxy)- (C26H31ClF3N3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H31ClF3N3O3/c1-17(2)23(32-24(34)20-4-3-5-22(14-20)36-26(28,29)30)25(35)31-15-18-10-12-33(13-11-18)16-19-6-8-21(27)9-7-19/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,31,35)(H,32,34)

InChIKey

PLPVPUHYXVTJEM-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-(trifluoromethoxy)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]+	526.20788	222.4
[M+Na]+	548.18982	223.5
[M-H]-	524.19332	224.8
[M+NH4]+	543.23442	226.1
[M+K]+	564.16376	217.7
[M+H-H2O]+	508.19786	209.7
[M+HCOO]-	570.19880	228.3
[M+CH3COO]-	584.21445	248.7
[M+Na-2H]-	546.17527	217.5
[M]+	525.20005	218.3
[M]-	525.20115	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.20788

222.4

[M+Na]+

548.18982

223.5

[M-H]-

524.19332

224.8

[M+NH4]+

543.23442

226.1

[M+K]+

564.16376

217.7

[M+H-H2O]+

508.19786

209.7

[M+HCOO]-

570.19880

228.3

[M+CH3COO]-

584.21445

248.7

[M+Na-2H]-

546.17527

217.5

[M]+

525.20005

218.3

[M]-

525.20115

218.3

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

Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2-methylpropyl]-3-(trifluoromethoxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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