PubChemLite - Brn 5170730 (C23H25Cl2N3O3)

Structural Information

Molecular Formula

SMILES

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)CN3CCCCC3

InChI

InChI=1S/C23H25Cl2N3O3/c1-27(22(30)14-26-21(29)15-28-11-5-2-6-12-28)20-10-9-16(24)13-18(20)23(31)17-7-3-4-8-19(17)25/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,26,29)

InChIKey

JIKTXDSTDCJSON-UHFFFAOYSA-N

Compound name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[(2-piperidin-1-ylacetyl)amino]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]+	462.13458	206.6
[M+Na]+	484.11652	209.6
[M-H]-	460.12002	214.1
[M+NH4]+	479.16112	214.3
[M+K]+	500.09046	204.2
[M+H-H2O]+	444.12456	197.1
[M+HCOO]-	506.12550	215.0
[M+CH3COO]-	520.14115	237.6
[M+Na-2H]-	482.10197	203.5
[M]+	461.12675	208.0
[M]-	461.12785	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.13458

206.6

[M+Na]+

484.11652

209.6

[M-H]-

460.12002

214.1

[M+NH4]+

479.16112

214.3

[M+K]+

500.09046

204.2

[M+H-H2O]+

444.12456

197.1

[M+HCOO]-

506.12550

215.0

[M+CH3COO]-

520.14115

237.6

[M+Na-2H]-

482.10197

203.5

[M]+

461.12675

208.0

[M]-

461.12785

208.0

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

Brn 5170730

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe