CID 3044995

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

Structural Information

Molecular Formula
C17H20ClN3O
SMILES
C1CN(CCN1CC(C2=CN=CC=C2)O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H20ClN3O/c18-15-4-1-5-16(11-15)21-9-7-20(8-10-21)13-17(22)14-3-2-6-19-12-14/h1-6,11-12,17,22H,7-10,13H2
InChIKey
RQRMZLQJWWLXKF-UHFFFAOYSA-N
Compound name
2-[4-(3-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 174.0
[M+Na]+ 340.11872 179.2
[M-H]- 316.12222 176.8
[M+NH4]+ 335.16332 183.5
[M+K]+ 356.09266 172.4
[M+H-H2O]+ 300.12676 163.0
[M+HCOO]- 362.12770 183.2
[M+CH3COO]- 376.14335 182.1
[M+Na-2H]- 338.10417 176.4
[M]+ 317.12895 170.4
[M]- 317.13005 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.