CID 3060269

Brn 5648675

Structural Information

Molecular Formula

C₂₃H₂₁ClN₄O₂

SMILES

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O2/c24-19-8-11-21(25-14-19)26-20-9-6-18(7-10-20)16-28-13-12-27(22(29)23(28)30)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16H2,(H,25,26)

InChIKey

SJRDRQYLNQXQJR-UHFFFAOYSA-N

Compound name

1-benzyl-4-[[4-[(5-chloro-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 420.1353 Da
Monoisotopic Mass: 3.8
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]+	421.142576	202.5
[M+Na]+	443.124518	209.1
[M-H]-	419.128024	210.0
[M+NH4]+	438.169123	207.9
[M+K]+	459.098458	200.4
[M+H-H2O]+	403.132560	188.9
[M+HCOO]-	465.133501	214.6
[M+CH3COO]-	479.149151	209.8
[M+Na-2H]-	441.109966	203.9
[M]+	420.13475142	201.2
[M]-	420.13584858	201.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.