CID 199292

Piperazine, 1-(o-bromophenyl)-4-(2-(4-pyridyl)ethyl)-

Structural Information

Molecular Formula
C17H20BrN3
SMILES
C1CN(CCN1CCC2=CC=NC=C2)C3=CC=CC=C3Br
InChI
InChI=1S/C17H20BrN3/c18-16-3-1-2-4-17(16)21-13-11-20(12-14-21)10-7-15-5-8-19-9-6-15/h1-6,8-9H,7,10-14H2
InChIKey
FHQNBFZVFNNEOO-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-4-(2-pyridin-4-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08405 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09133 174.9
[M+Na]+ 368.07327 180.4
[M+NH4]+ 363.11787 179.6
[M+K]+ 384.04721 177.5
[M-H]- 344.07677 178.4
[M+Na-2H]- 366.05872 181.1
[M]+ 345.08350 175.6
[M]- 345.08460 175.6
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.