PubChemLite - 3-bromo-n-[2-[[1-[(4-ethylphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-4-fluoro-benzamide (C24H29BrFN3O2)

Structural Information

Molecular Formula

SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C24H29BrFN3O2/c1-2-17-3-5-19(6-4-17)16-29-11-9-18(10-12-29)14-27-23(30)15-28-24(31)20-7-8-22(26)21(25)13-20/h3-8,13,18H,2,9-12,14-16H2,1H3,(H,27,30)(H,28,31)

InChIKey

ZWXYLSBJNVYANR-UHFFFAOYSA-N

Compound name

3-bromo-N-[2-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-4-fluorobenzamide

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]+	490.15001	212.4
[M+Na]+	512.13195	216.8
[M-H]-	488.13545	219.7
[M+NH4]+	507.17655	221.1
[M+K]+	528.10589	203.2
[M+H-H2O]+	472.13999	206.5
[M+HCOO]-	534.14093	226.2
[M+CH3COO]-	548.15658	238.2
[M+Na-2H]-	510.11740	210.6
[M]+	489.14218	226.2
[M]-	489.14328	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.15001

212.4

[M+Na]+

512.13195

216.8

[M-H]-

488.13545

219.7

[M+NH4]+

507.17655

221.1

[M+K]+

528.10589

203.2

[M+H-H2O]+

472.13999

206.5

[M+HCOO]-

534.14093

226.2

[M+CH3COO]-

548.15658

238.2

[M+Na-2H]-

510.11740

210.6

[M]+

489.14218

226.2

[M]-

489.14328

226.2

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

3-bromo-n-[2-[[1-[(4-ethylphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-4-fluoro-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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