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 184.9
[M+Na]+ 363.15984 190.4
[M-H]- 339.16334 190.9
[M+NH4]+ 358.20444 198.5
[M+K]+ 379.13378 182.3
[M+H-H2O]+ 323.16788 174.0
[M+HCOO]- 385.16882 195.4
[M+CH3COO]- 399.18447 193.4
[M+Na-2H]- 361.14529 184.2
[M]+ 340.17007 181.5
[M]- 340.17117 181.5
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.