CID 215783

36245-29-1

Structural Information

Molecular Formula

C₁₉H₂₄N₄O

SMILES

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

InChI

InChI=1S/C19H24N4O/c20-19(24)17-8-4-5-9-18(17)21-10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16/h1-9,21H,10-15H2,(H2,20,24)

InChIKey

ZONCXYHFFPIZCM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 324.195 Da
Monoisotopic Mass: 2.3
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]+	325.202276	178.0
[M+Na]+	347.184218	180.6
[M-H]-	323.187724	183.1
[M+NH4]+	342.228823	187.4
[M+K]+	363.158158	175.1
[M+H-H2O]+	307.192260	166.6
[M+HCOO]-	369.193201	195.8
[M+CH3COO]-	383.208851	213.1
[M+Na-2H]-	345.169666	180.6
[M]+	324.19445142	171.4
[M]-	324.19554858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe