PubChemLite - 1-piperazineacetamide, n-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-4-methyl-, dihydrochloride, hydrate (2:4:1) (C23H26Cl2N4O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)CC(=O)NCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H26Cl2N4O3/c1-27-9-11-29(12-10-27)15-21(30)26-14-22(31)28(2)20-8-7-16(24)13-18(20)23(32)17-5-3-4-6-19(17)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,30)

InChIKey

GAZIMNSFOZBPSF-UHFFFAOYSA-N

Compound name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]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]+	477.14546	209.6
[M+Na]+	499.12740	213.3
[M-H]-	475.13090	216.1
[M+NH4]+	494.17200	215.5
[M+K]+	515.10134	208.0
[M+H-H2O]+	459.13544	199.3
[M+HCOO]-	521.13638	216.6
[M+CH3COO]-	535.15203	241.5
[M+Na-2H]-	497.11285	206.2
[M]+	476.13763	211.7
[M]-	476.13873	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.14546

209.6

[M+Na]+

499.12740

213.3

[M-H]-

475.13090

216.1

[M+NH4]+

494.17200

215.5

[M+K]+

515.10134

208.0

[M+H-H2O]+

459.13544

199.3

[M+HCOO]-

521.13638

216.6

[M+CH3COO]-

535.15203

241.5

[M+Na-2H]-

497.11285

206.2

[M]+

476.13763

211.7

[M]-

476.13873

211.7

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

1-piperazineacetamide, n-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-4-methyl-, dihydrochloride, hydrate (2:4:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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