CID 3049125

Alpha-((3-aminophenoxy)methyl)-4-(3-methoxyphenyl)-1-piperazineethanol trihydrochloride

Structural Information

Molecular Formula
C20H27N3O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=CC(=C3)N)O
InChI
InChI=1S/C20H27N3O3/c1-25-19-6-3-5-17(13-19)23-10-8-22(9-11-23)14-18(24)15-26-20-7-2-4-16(21)12-20/h2-7,12-13,18,24H,8-11,14-15,21H2,1H3
InChIKey
OPIXMHGIZYKYAI-UHFFFAOYSA-N
Compound name
1-(3-aminophenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 188.3
[M+Na]+ 380.19445 199.9
[M+NH4]+ 375.23905 194.3
[M+K]+ 396.16839 193.4
[M-H]- 356.19795 192.8
[M+Na-2H]- 378.17990 195.2
[M]+ 357.20468 191.0
[M]- 357.20578 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.