CID 489421

Chembl7283

Structural Information

Molecular Formula

C₂₀H₂₅N₅

SMILES

CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C20H25N5/c1-2-21-19-8-5-9-22-20(19)25-12-10-24(11-13-25)15-17-14-16-6-3-4-7-18(16)23-17/h3-9,14,21,23H,2,10-13,15H2,1H3

InChIKey

LVWUXBAJWLJDCW-UHFFFAOYSA-N

Compound name

N-ethyl-2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 335.211 Da
Monoisotopic Mass: 3.1
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]+	336.21828	181.1
[M+Na]+	358.20022	187.1
[M-H]-	334.20372	184.5
[M+NH4]+	353.24482	190.6
[M+K]+	374.17416	179.0
[M+H-H2O]+	318.20826	169.0
[M+HCOO]-	380.20920	196.5
[M+CH3COO]-	394.22485	189.1
[M+Na-2H]-	356.18567	184.4
[M]+	335.21045	177.0
[M]-	335.21155	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe