CID 3550454

1,4-bis(5-chloro-2-methoxybenzoyl)piperazine

Structural Information

Molecular Formula

C₂₀H₂₀Cl₂N₂O₄

SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H20Cl2N2O4/c1-27-17-5-3-13(21)11-15(17)19(25)23-7-9-24(10-8-23)20(26)16-12-14(22)4-6-18(16)28-2/h3-6,11-12H,7-10H2,1-2H3

InChIKey

ODESBGCCVZZCJD-UHFFFAOYSA-N

Compound name

[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 422.08002 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

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]+	423.087296	193.0
[M+Na]+	445.069238	200.4
[M-H]-	421.072744	199.0
[M+NH4]+	440.113843	201.5
[M+K]+	461.043178	194.9
[M+H-H2O]+	405.077280	183.3
[M+HCOO]-	467.078221	199.2
[M+CH3COO]-	481.093871	222.9
[M+Na-2H]-	443.054686	190.9
[M]+	422.07947142	196.8
[M]-	422.08056858	196.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.