CID 3070955

87203-81-4

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₃

SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N3CCN(CC3)CCO

InChI

InChI=1S/C23H32N2O3/c1-18-4-7-20(8-5-18)21(25-12-10-24(11-13-25)14-15-26)16-19-6-9-22(27-2)23(17-19)28-3/h4-9,17,21,26H,10-16H2,1-3H3

InChIKey

WSROJGZWMLBGKW-UHFFFAOYSA-N

Compound name

2-[4-[2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 384.2413 Da
Monoisotopic Mass: 3.2
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]+	385.248576	197.3
[M+Na]+	407.230518	200.6
[M-H]-	383.234024	201.6
[M+NH4]+	402.275123	204.9
[M+K]+	423.204458	195.7
[M+H-H2O]+	367.238560	185.8
[M+HCOO]-	429.239501	210.8
[M+CH3COO]-	443.255151	220.2
[M+Na-2H]-	405.215966	195.5
[M]+	384.24075142	196.7
[M]-	384.24184858	196.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe