CID 3044994

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

Structural Information

Molecular Formula
C17H20ClN3O
SMILES
C1CN(CCN1CC(C2=CN=CC=C2)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H20ClN3O/c18-15-5-1-2-6-16(15)21-10-8-20(9-11-21)13-17(22)14-4-3-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKey
LUSXXGKHFHBBOK-UHFFFAOYSA-N
Compound name
2-[4-(2-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]+ 318.136776 174.0
[M+Na]+ 340.118718 179.2
[M-H]- 316.122224 176.8
[M+NH4]+ 335.163323 183.5
[M+K]+ 356.092658 172.4
[M+H-H2O]+ 300.126760 163.0
[M+HCOO]- 362.127701 183.2
[M+CH3COO]- 376.143351 182.1
[M+Na-2H]- 338.104166 176.4
[M]+ 317.12895142 170.4
[M]- 317.13004858 170.4
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.