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 171.8
[M+Na]+ 324.12380 177.8
[M-H]- 300.12730 175.6
[M+NH4]+ 319.16840 182.7
[M+K]+ 340.09774 170.6
[M+H-H2O]+ 284.13184 160.1
[M+HCOO]- 346.13278 183.1
[M+CH3COO]- 360.14843 180.7
[M+Na-2H]- 322.10925 175.5
[M]+ 301.13403 169.0
[M]- 301.13513 169.0
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.