CID 9340

1-(4-chlorobenzhydryl)piperazine

Structural Information

Molecular Formula
C17H19ClN2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
UZKBSZSTDQSMDR-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

2161
Patents

286.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13098 166.5
[M+Na]+ 309.11292 170.9
[M-H]- 285.11642 170.3
[M+NH4]+ 304.15752 178.5
[M+K]+ 325.08686 163.7
[M+H-H2O]+ 269.12096 156.5
[M+HCOO]- 331.12190 176.9
[M+CH3COO]- 345.13755 175.3
[M+Na-2H]- 307.09837 169.6
[M]+ 286.12315 160.7
[M]- 286.12425 160.7
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.