PubChemLite - Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-3-methylbutyl]-3-(trifluoromethoxy)- (C27H33ClF3N3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H33ClF3N3O3/c1-18(2)14-24(33-25(35)21-4-3-5-23(15-21)37-27(29,30)31)26(36)32-16-19-10-12-34(13-11-19)17-20-6-8-22(28)9-7-20/h3-9,15,18-19,24H,10-14,16-17H2,1-2H3,(H,32,36)(H,33,35)

InChIKey

UCSANOZZYOWWLI-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-4-methyl-1-oxopentan-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]+	540.22353	226.7
[M+Na]+	562.20547	227.4
[M-H]-	538.20897	228.9
[M+NH4]+	557.25007	229.9
[M+K]+	578.17941	221.4
[M+H-H2O]+	522.21351	213.8
[M+HCOO]-	584.21445	232.2
[M+CH3COO]-	598.23010	251.5
[M+Na-2H]-	560.19092	221.4
[M]+	539.21570	223.0
[M]-	539.21680	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.22353

226.7

[M+Na]+

562.20547

227.4

[M-H]-

538.20897

228.9

[M+NH4]+

557.25007

229.9

[M+K]+

578.17941

221.4

[M+H-H2O]+

522.21351

213.8

[M+HCOO]-

584.21445

232.2

[M+CH3COO]-

598.23010

251.5

[M+Na-2H]-

560.19092

221.4

[M]+

539.21570

223.0

[M]-

539.21680

223.0

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]-3-methylbutyl]-3-(trifluoromethoxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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