CID 3038682

Piperazine, 1-(2-(2,3-dihydro-1h-inden-5-yl)ethyl)-4-(4-fluorophenyl)-

Structural Information

Molecular Formula
C21H25FN2
SMILES
C1CC2=C(C1)C=C(C=C2)CCN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H25FN2/c22-20-6-8-21(9-7-20)24-14-12-23(13-15-24)11-10-17-4-5-18-2-1-3-19(18)16-17/h4-9,16H,1-3,10-15H2
InChIKey
BNACQPPUEAMOAX-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.20016 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20744 179.9
[M+Na]+ 347.18938 184.8
[M-H]- 323.19288 185.0
[M+NH4]+ 342.23398 193.4
[M+K]+ 363.16332 177.7
[M+H-H2O]+ 307.19742 168.1
[M+HCOO]- 369.19836 194.2
[M+CH3COO]- 383.21401 188.5
[M+Na-2H]- 345.17483 179.4
[M]+ 324.19961 173.5
[M]- 324.20071 173.5
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.