PubChemLite - 2-[(3-acetylphenyl)carbamoylamino]-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]acetamide (C24H29ClN4O3)

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4O3/c1-17(30)20-3-2-4-22(13-20)28-24(32)27-15-23(31)26-14-18-9-11-29(12-10-18)16-19-5-7-21(25)8-6-19/h2-8,13,18H,9-12,14-16H2,1H3,(H,26,31)(H2,27,28,32)

InChIKey

ABRCRDOPQUPXRJ-UHFFFAOYSA-N

Compound name

2-[(3-acetylphenyl)carbamoylamino]-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide

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]+	457.20008	209.9
[M+Na]+	479.18202	210.9
[M-H]-	455.18552	216.4
[M+NH4]+	474.22662	216.1
[M+K]+	495.15596	205.3
[M+H-H2O]+	439.19006	199.3
[M+HCOO]-	501.19100	223.3
[M+CH3COO]-	515.20665	238.6
[M+Na-2H]-	477.16747	208.2
[M]+	456.19225	207.8
[M]-	456.19335	207.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.20008

209.9

[M+Na]+

479.18202

210.9

[M-H]-

455.18552

216.4

[M+NH4]+

474.22662

216.1

[M+K]+

495.15596

205.3

[M+H-H2O]+

439.19006

199.3

[M+HCOO]-

501.19100

223.3

[M+CH3COO]-

515.20665

238.6

[M+Na-2H]-

477.16747

208.2

[M]+

456.19225

207.8

[M]-

456.19335

207.8

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

2-[(3-acetylphenyl)carbamoylamino]-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe