CID 3062500

1-(3-chlorophenyl)-4-(2-(2,3-dihydro-1h-inden-1-yl)ethyl)piperazine

Structural Information

Molecular Formula
C21H25ClN2
SMILES
C1CC2=CC=CC=C2C1CCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H25ClN2/c22-19-5-3-6-20(16-19)24-14-12-23(13-15-24)11-10-18-9-8-17-4-1-2-7-21(17)18/h1-7,16,18H,8-15H2
InChIKey
ONBXATXUKPFYMJ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17062 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17790 183.9
[M+Na]+ 363.15984 199.3
[M+NH4]+ 358.20444 194.0
[M+K]+ 379.13378 190.1
[M-H]- 339.16334 190.6
[M+Na-2H]- 361.14529 192.2
[M]+ 340.17007 188.5
[M]- 340.17117 188.5
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.