CID 199285

Brn 0893422

Structural Information

Molecular Formula
C17H20ClN3
SMILES
C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H20ClN3/c18-16-6-1-2-7-17(16)21-13-11-20(12-14-21)10-8-15-5-3-4-9-19-15/h1-7,9H,8,10-14H2
InChIKey
MDBYNIYDVXWNMS-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-(2-pyridin-2-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.13458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14186 172.4
[M+Na]+ 324.12380 188.9
[M+NH4]+ 319.16840 181.3
[M+K]+ 340.09774 178.6
[M-H]- 300.12730 178.2
[M+Na-2H]- 322.10925 182.9
[M]+ 301.13403 176.8
[M]- 301.13513 176.8
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.