CID 216048

1-(4,4-diphenylbutyl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
CN1CCN(CC1)CCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-22-15-17-23(18-16-22)14-8-13-21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3
InChIKey
HERHKCHTSKLTET-UHFFFAOYSA-N
Compound name
1-(4,4-diphenylbutyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 178.2
[M+Na]+ 331.21447 180.5
[M-H]- 307.21797 182.9
[M+NH4]+ 326.25907 189.0
[M+K]+ 347.18841 174.7
[M+H-H2O]+ 291.22251 166.7
[M+HCOO]- 353.22345 193.3
[M+CH3COO]- 367.23910 186.2
[M+Na-2H]- 329.19992 180.0
[M]+ 308.22470 173.2
[M]- 308.22580 173.2
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.