PubChemLite - Benzamide, n-[2-[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- (C23H24Cl2F3N3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H24Cl2F3N3O2/c24-19-5-4-16(10-20(19)25)14-31-8-6-15(7-9-31)12-29-21(32)13-30-22(33)17-2-1-3-18(11-17)23(26,27)28/h1-5,10-11,15H,6-9,12-14H2,(H,29,32)(H,30,33)

InChIKey

HOMIFYKXBNNNKG-UHFFFAOYSA-N

Compound name

N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-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]+	502.12706	213.8
[M+Na]+	524.10900	218.5
[M-H]-	500.11250	216.3
[M+NH4]+	519.15360	219.8
[M+K]+	540.08294	210.2
[M+H-H2O]+	484.11704	202.0
[M+HCOO]-	546.11798	217.6
[M+CH3COO]-	560.13363	240.9
[M+Na-2H]-	522.09445	210.8
[M]+	501.11923	210.6
[M]-	501.12033	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.12706

213.8

[M+Na]+

524.10900

218.5

[M-H]-

500.11250

216.3

[M+NH4]+

519.15360

219.8

[M+K]+

540.08294

210.2

[M+H-H2O]+

484.11704

202.0

[M+HCOO]-

546.11798

217.6

[M+CH3COO]-

560.13363

240.9

[M+Na-2H]-

522.09445

210.8

[M]+

501.11923

210.6

[M]-

501.12033

210.6

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

Benzamide, n-[2-[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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