CID 3049139

Alpha-((2-aminophenoxy)methyl)-4-(3-methylphenyl)-1-piperazineethanol trihydrochloride

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=CC=C3N)O
InChI
InChI=1S/C20H27N3O2/c1-16-5-4-6-17(13-16)23-11-9-22(10-12-23)14-18(24)15-25-20-8-3-2-7-19(20)21/h2-8,13,18,24H,9-12,14-15,21H2,1H3
InChIKey
PCDABZWDZYFBPQ-UHFFFAOYSA-N
Compound name
1-(2-aminophenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 185.4
[M+Na]+ 364.19955 197.5
[M+NH4]+ 359.24415 192.1
[M+K]+ 380.17349 190.4
[M-H]- 340.20305 190.4
[M+Na-2H]- 362.18500 192.7
[M]+ 341.20978 188.4
[M]- 341.21088 188.4
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.