CID 3044997

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

Structural Information

Molecular Formula
C17H20FN3O
SMILES
C1CN(CCN1CC(C2=CN=CC=C2)O)C3=CC=CC=C3F
InChI
InChI=1S/C17H20FN3O/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
NVZRRNFAUHHTQF-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15903 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16631 172.0
[M+Na]+ 324.14825 176.5
[M-H]- 300.15175 173.7
[M+NH4]+ 319.19285 181.2
[M+K]+ 340.12219 170.6
[M+H-H2O]+ 284.15629 159.7
[M+HCOO]- 346.15723 184.7
[M+CH3COO]- 360.17288 179.9
[M+Na-2H]- 322.13370 174.2
[M]+ 301.15848 165.2
[M]- 301.15958 165.2
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.