CID 3994476

Chembl279841

Structural Information

Molecular Formula

C₁₉H₂₇N₃O₃

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O

InChI

InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3

InChIKey

MQHOGPLXAXSQAJ-UHFFFAOYSA-N

Compound name

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 26
Patents: 345.20523 Da
Monoisotopic Mass: 1.5
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]+	346.21251	186.4
[M+Na]+	368.19445	197.0
[M+NH4]+	363.23905	191.9
[M+K]+	384.16839	192.0
[M-H]-	344.19795	188.9
[M+Na-2H]-	366.17990	190.6
[M]+	345.20468	188.2
[M]-	345.20578	188.2

Literature stripe

literature stripe

Patent stripe

patents stripe