CID 99096

64511-27-9

Structural Information

Molecular Formula

C₁₉H₂₅N₃O₂

SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)N)O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15,20H2

InChIKey

FOIJILXQFMCPQD-UHFFFAOYSA-N

Compound name

1-(4-aminophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 327.19467 Da
Monoisotopic Mass: 2.2
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]+	328.201946	179.2
[M+Na]+	350.183888	181.7
[M-H]-	326.187394	182.9
[M+NH4]+	345.228493	188.1
[M+K]+	366.157828	176.6
[M+H-H2O]+	310.191930	168.1
[M+HCOO]-	372.192871	194.4
[M+CH3COO]-	386.208521	208.5
[M+Na-2H]-	348.169336	180.7
[M]+	327.19412142	173.4
[M]-	327.19521858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe