CID 215777

Compound 751-295

Structural Information

Molecular Formula

C₂₀H₂₆N₄O₂

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCNC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H26N4O2/c1-26-17-8-6-16(7-9-17)24-14-12-23(13-15-24)11-10-22-19-5-3-2-4-18(19)20(21)25/h2-9,22H,10-15H2,1H3,(H2,21,25)

InChIKey

WZRADMOHLRFXPN-UHFFFAOYSA-N

Compound name

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 354.20557 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]+	355.212846	186.0
[M+Na]+	377.194788	188.9
[M-H]-	353.198294	191.3
[M+NH4]+	372.239393	194.4
[M+K]+	393.168728	183.9
[M+H-H2O]+	337.202830	174.4
[M+HCOO]-	399.203771	203.6
[M+CH3COO]-	413.219421	219.5
[M+Na-2H]-	375.180236	187.4
[M]+	354.20502142	181.5
[M]-	354.20611858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe