PubChemLite - 3-bromo-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-4-fluoro-benzamide (C22H24BrClFN3O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=C(C=C2)F)Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24BrClFN3O2/c23-19-11-17(3-6-20(19)25)22(30)27-13-21(29)26-12-15-7-9-28(10-8-15)14-16-1-4-18(24)5-2-16/h1-6,11,15H,7-10,12-14H2,(H,26,29)(H,27,30)

InChIKey

ISARKGLHPPHLNY-UHFFFAOYSA-N

Compound name

3-bromo-N-[2-[[1-[(4-chlorophenyl)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]+	496.07973	208.6
[M+Na]+	518.06167	215.0
[M-H]-	494.06517	216.2
[M+NH4]+	513.10627	218.1
[M+K]+	534.03561	200.1
[M+H-H2O]+	478.06971	203.7
[M+HCOO]-	540.07065	218.9
[M+CH3COO]-	554.08630	235.9
[M+Na-2H]-	516.04712	207.6
[M]+	495.07190	224.2
[M]-	495.07300	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.07973

208.6

[M+Na]+

518.06167

215.0

[M-H]-

494.06517

216.2

[M+NH4]+

513.10627

218.1

[M+K]+

534.03561

200.1

[M+H-H2O]+

478.06971

203.7

[M+HCOO]-

540.07065

218.9

[M+CH3COO]-

554.08630

235.9

[M+Na-2H]-

516.04712

207.6

[M]+

495.07190

224.2

[M]-

495.07300

224.2

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-chlorophenyl)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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