CID 594590

4-(1-piperazinyl)-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN3

InChI

InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2

InChIKey

YZKSXUIOKWQABW-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 386
Patents: 201.1266 Da
Monoisotopic Mass: 2.2
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]+	202.13388	145.4
[M+Na]+	224.11582	158.5
[M+NH4]+	219.16042	154.1
[M+K]+	240.08976	153.0
[M-H]-	200.11932	147.9
[M+Na-2H]-	222.10127	152.5
[M]+	201.12605	147.8
[M]-	201.12715	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe