CID 20836262

Piperazine, 1-(3-(4-methoxyphenyl)-1-oxo-2-butenyl)-4-(3-methylphenyl)-

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₂

SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)/C=C(/C)\C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O2/c1-17-5-4-6-20(15-17)23-11-13-24(14-12-23)22(25)16-18(2)19-7-9-21(26-3)10-8-19/h4-10,15-16H,11-14H2,1-3H3/b18-16-

InChIKey

SDWWMGQEJJJHGT-VLGSPTGOSA-N

Compound name

(Z)-3-(4-methoxyphenyl)-1-[4-(3-methylphenyl)piperazin-1-yl]but-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.19943 Da
Monoisotopic Mass: 4.4
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]+	351.206706	187.4
[M+Na]+	373.188648	191.4
[M-H]-	349.192154	193.1
[M+NH4]+	368.233253	196.9
[M+K]+	389.162588	186.2
[M+H-H2O]+	333.196690	176.3
[M+HCOO]-	395.197631	202.1
[M+CH3COO]-	409.213281	214.6
[M+Na-2H]-	371.174096	186.2
[M]+	350.19888142	184.4
[M]-	350.19997858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.