CID 214043

27588-46-1

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₃

SMILES

COC1=CC=C(C=C1)C(CCN2CCN(CC2)CC(C3=CC=CC=C3)OC)O

InChI

InChI=1S/C23H32N2O3/c1-27-21-10-8-19(9-11-21)22(26)12-13-24-14-16-25(17-15-24)18-23(28-2)20-6-4-3-5-7-20/h3-11,22-23,26H,12-18H2,1-2H3

InChIKey

ROAVLUMRRORJIL-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.2413 Da
Monoisotopic Mass: 2.6
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	196.2
[M+Na]+	407.230518	197.2
[M-H]-	383.234024	199.7
[M+NH4]+	402.275123	203.1
[M+K]+	423.204458	192.9
[M+H-H2O]+	367.238560	184.4
[M+HCOO]-	429.239501	208.7
[M+CH3COO]-	443.255151	218.6
[M+Na-2H]-	405.215966	194.8
[M]+	384.24075142	194.1
[M]-	384.24184858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.