CID 3050238

Brn 0852605

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₃

SMILES

CCC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-21(25)18-8-10-20(11-9-18)27-17-12-22(26)24-15-13-23(14-16-24)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3

InChIKey

FKNRDSOKSDKPJC-UHFFFAOYSA-N

Compound name

1-(4-phenylpiperazin-1-yl)-3-(4-propanoylphenoxy)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.19434 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]+	367.201616	190.1
[M+Na]+	389.183558	192.8
[M-H]-	365.187064	195.3
[M+NH4]+	384.228163	198.3
[M+K]+	405.157498	188.2
[M+H-H2O]+	349.191600	178.4
[M+HCOO]-	411.192541	204.8
[M+CH3COO]-	425.208191	216.1
[M+Na-2H]-	387.169006	189.6
[M]+	366.19379142	188.0
[M]-	366.19488858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.