CID 506267

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula

C₂₁H₂₀N₄O₃

SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)N)C(=O)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3/c22-15-5-3-4-14(12-15)20(27)24-8-10-25(11-9-24)21(28)19(26)17-13-23-18-7-2-1-6-16(17)18/h1-7,12-13,23H,8-11,22H2

InChIKey

PKVSEIHHAFEERI-UHFFFAOYSA-N

Compound name

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.15353 Da
Monoisotopic Mass: 1.6
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]+	377.160806	188.1
[M+Na]+	399.142748	192.9
[M-H]-	375.146254	192.9
[M+NH4]+	394.187353	196.3
[M+K]+	415.116688	186.9
[M+H-H2O]+	359.150790	177.4
[M+HCOO]-	421.151731	202.0
[M+CH3COO]-	435.167381	195.6
[M+Na-2H]-	397.128196	187.2
[M]+	376.15298142	183.1
[M]-	376.15407858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.