CID 3087257

1-benzyl-4-(4-cyclopentylphenyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C22H28N2
SMILES
C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C22H28N2/c1-2-6-19(7-3-1)18-23-14-16-24(17-15-23)22-12-10-21(11-13-22)20-8-4-5-9-20/h1-3,6-7,10-13,20H,4-5,8-9,14-18H2
InChIKey
RKFMMJBVQVDCSO-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-cyclopentylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 180.2
[M+Na]+ 343.214468 182.4
[M-H]- 319.217974 188.1
[M+NH4]+ 338.259073 192.0
[M+K]+ 359.188408 176.0
[M+H-H2O]+ 303.222510 168.3
[M+HCOO]- 365.223451 195.3
[M+CH3COO]- 379.239101 188.3
[M+Na-2H]- 341.199916 178.9
[M]+ 320.22470142 171.8
[M]- 320.22579858 171.8
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

patents stripe