CID 3049147

Alpha-((2-aminophenoxy)methyl)-4-(4-chlorophenyl)-1-piperazineethanol trihydrochloride

Structural Information

Molecular Formula
C19H24ClN3O2
SMILES
C1CN(CCN1CC(COC2=CC=CC=C2N)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN3O2/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-17(24)14-25-19-4-2-1-3-18(19)21/h1-8,17,24H,9-14,21H2
InChIKey
OWZSCHRPSHKVCW-UHFFFAOYSA-N
Compound name
1-(2-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16298 186.7
[M+Na]+ 384.14492 199.9
[M+NH4]+ 379.18952 193.8
[M+K]+ 400.11886 192.1
[M-H]- 360.14842 191.8
[M+Na-2H]- 382.13037 194.4
[M]+ 361.15515 190.2
[M]- 361.15625 190.2
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.