CID 3062504

1-(2-(4-phenyl-1-piperazinyl)ethyl)indane hydrochloride

Structural Information

Molecular Formula
C21H26N2
SMILES
C1CC2=CC=CC=C2C1CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-2-7-20(8-3-1)23-16-14-22(15-17-23)13-12-19-11-10-18-6-4-5-9-21(18)19/h1-9,19H,10-17H2
InChIKey
FZJZYFYINDWXSJ-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.1
[M+Na]+ 329.19882 179.9
[M-H]- 305.20232 182.2
[M+NH4]+ 324.24342 190.0
[M+K]+ 345.17276 173.4
[M+H-H2O]+ 289.20686 165.1
[M+HCOO]- 351.20780 191.5
[M+CH3COO]- 365.22345 184.9
[M+Na-2H]- 327.18427 176.9
[M]+ 306.20905 170.2
[M]- 306.21015 170.2
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.