CID 3050164

Compound 775-679

Structural Information

Molecular Formula

C₂₀H₂₆N₄O

SMILES

C1CN(CCN1CCNC2=CC=CC=C2C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O/c21-20(25)18-8-4-5-9-19(18)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9,22H,10-16H2,(H2,21,25)

InChIKey

IGGLMKPPGKOHEQ-UHFFFAOYSA-N

Compound name

2-[2-(4-benzylpiperazin-1-yl)ethylamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 338.21066 Da
Monoisotopic Mass: 2.0
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]+	339.217936	182.2
[M+Na]+	361.199878	184.4
[M-H]-	337.203384	187.1
[M+NH4]+	356.244483	191.1
[M+K]+	377.173818	178.6
[M+H-H2O]+	321.207920	170.7
[M+HCOO]-	383.208861	199.7
[M+CH3COO]-	397.224511	216.1
[M+Na-2H]-	359.185326	184.3
[M]+	338.21011142	176.0
[M]-	338.21120858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe