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]+ 321.23253 180.2
[M+Na]+ 343.21447 182.4
[M-H]- 319.21797 188.1
[M+NH4]+ 338.25907 192.0
[M+K]+ 359.18841 176.0
[M+H-H2O]+ 303.22251 168.3
[M+HCOO]- 365.22345 195.3
[M+CH3COO]- 379.23910 188.3
[M+Na-2H]- 341.19992 178.9
[M]+ 320.22470 171.8
[M]- 320.22580 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