PubChemLite - Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-3-methylbutyl]-3-(trifluoromethyl)- (C27H33ClF3N3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H33ClF3N3O2/c1-18(2)14-24(33-25(35)21-4-3-5-22(15-21)27(29,30)31)26(36)32-16-19-10-12-34(13-11-19)17-20-6-8-23(28)9-7-20/h3-9,15,18-19,24H,10-14,16-17H2,1-2H3,(H,32,36)(H,33,35)

InChIKey

UYZNKHHTEQOQLB-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-4-methyl-1-oxopentan-2-yl]-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]+	524.22858	224.5
[M+Na]+	546.21052	225.4
[M-H]-	522.21402	226.7
[M+NH4]+	541.25512	228.4
[M+K]+	562.18446	218.6
[M+H-H2O]+	506.21856	211.8
[M+HCOO]-	568.21950	229.8
[M+CH3COO]-	582.23515	249.4
[M+Na-2H]-	544.19597	218.8
[M]+	523.22075	219.4
[M]-	523.22185	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.22858

224.5

[M+Na]+

546.21052

225.4

[M-H]-

522.21402

226.7

[M+NH4]+

541.25512

228.4

[M+K]+

562.18446

218.6

[M+H-H2O]+

506.21856

211.8

[M+HCOO]-

568.21950

229.8

[M+CH3COO]-

582.23515

249.4

[M+Na-2H]-

544.19597

218.8

[M]+

523.22075

219.4

[M]-

523.22185

219.4

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-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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