CID 120979

Piperazine, 1-(4-chlorophenyl)-4-(2-(5-methoxy-2-methyl-3-benzofuranyl)ethyl)-

Structural Information

Molecular Formula

C₂₂H₂₅ClN₂O₂

SMILES

CC1=C(C2=C(O1)C=CC(=C2)OC)CCN3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-16-20(21-15-19(26-2)7-8-22(21)27-16)9-10-24-11-13-25(14-12-24)18-5-3-17(23)4-6-18/h3-8,15H,9-14H2,1-2H3

InChIKey

PTLSLDYJESMFCU-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-4-[2-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.16046 Da
Monoisotopic Mass: 5.2
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]+	385.167736	194.8
[M+Na]+	407.149678	203.6
[M-H]-	383.153184	203.0
[M+NH4]+	402.194283	206.1
[M+K]+	423.123618	197.4
[M+H-H2O]+	367.157720	184.4
[M+HCOO]-	429.158661	207.2
[M+CH3COO]-	443.174311	204.5
[M+Na-2H]-	405.135126	194.8
[M]+	384.15991142	199.0
[M]-	384.16100858	199.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.