PubChemLite - Benzamide, 2-amino-n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-5-(trifluoromethoxy)- (C23H26ClF3N4O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H26ClF3N4O3/c24-17-3-1-16(2-4-17)14-31-9-7-15(8-10-31)12-29-21(32)13-30-22(33)19-11-18(5-6-20(19)28)34-23(25,26)27/h1-6,11,15H,7-10,12-14,28H2,(H,29,32)(H,30,33)

InChIKey

WBSBKDKNHWWPAD-UHFFFAOYSA-N

Compound name

2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethoxy)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]+	499.17183	214.9
[M+Na]+	521.15377	218.0
[M-H]-	497.15727	217.5
[M+NH4]+	516.19837	219.6
[M+K]+	537.12771	211.5
[M+H-H2O]+	481.16181	202.2
[M+HCOO]-	543.16275	224.1
[M+CH3COO]-	557.17840	244.5
[M+Na-2H]-	519.13922	212.5
[M]+	498.16400	209.7
[M]-	498.16510	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.17183

214.9

[M+Na]+

521.15377

218.0

[M-H]-

497.15727

217.5

[M+NH4]+

516.19837

219.6

[M+K]+

537.12771

211.5

[M+H-H2O]+

481.16181

202.2

[M+HCOO]-

543.16275

224.1

[M+CH3COO]-

557.17840

244.5

[M+Na-2H]-

519.13922

212.5

[M]+

498.16400

209.7

[M]-

498.16510

209.7

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

Benzamide, 2-amino-n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-5-(trifluoromethoxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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