PubChemLite - 2-chloro-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]-5-(trifluoromethyl)benzamide (C24H26Cl2F3N3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H26Cl2F3N3O2/c1-15(31-23(34)20-12-18(24(27,28)29)4-7-21(20)26)22(33)30-13-16-8-10-32(11-9-16)14-17-2-5-19(25)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,30,33)(H,31,34)

InChIKey

QKYFFMLPELDMLF-UHFFFAOYSA-N

Compound name

2-chloro-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-5-(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]+	516.14272	216.9
[M+Na]+	538.12466	220.8
[M-H]-	514.12816	219.3
[M+NH4]+	533.16926	222.2
[M+K]+	554.09860	213.0
[M+H-H2O]+	498.13270	205.3
[M+HCOO]-	560.13364	219.4
[M+CH3COO]-	574.14929	244.6
[M+Na-2H]-	536.11011	212.5
[M]+	515.13489	213.5
[M]-	515.13599	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.14272

216.9

[M+Na]+

538.12466

220.8

[M-H]-

514.12816

219.3

[M+NH4]+

533.16926

222.2

[M+K]+

554.09860

213.0

[M+H-H2O]+

498.13270

205.3

[M+HCOO]-

560.13364

219.4

[M+CH3COO]-

574.14929

244.6

[M+Na-2H]-

536.11011

212.5

[M]+

515.13489

213.5

[M]-

515.13599

213.5

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

2-chloro-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]-5-(trifluoromethyl)benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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