CID 3044996

1-piperazineethanol, 4-(p-chlorophenyl)-alpha-(3-pyridyl)-

Structural Information

Molecular Formula
C17H20ClN3O
SMILES
C1CN(CCN1CC(C2=CN=CC=C2)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H20ClN3O/c18-15-3-5-16(6-4-15)21-10-8-20(9-11-21)13-17(22)14-2-1-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKey
XZNTWHDKCQBRFP-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1295 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13678 175.2
[M+Na]+ 340.11872 190.3
[M+NH4]+ 335.16332 183.0
[M+K]+ 356.09266 181.8
[M-H]- 316.12222 179.8
[M+Na-2H]- 338.10417 184.3
[M]+ 317.12895 179.0
[M]- 317.13005 179.0
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.