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

2567
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

literature stripe

Patent stripe

patents stripe