CID 3062499

98236-27-2

Structural Information

Molecular Formula
C22H28N2
SMILES
C1CC2=CC=CC=C2C1CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2/c1-2-9-21(10-3-1)24-17-15-23(16-18-24)14-6-8-20-13-12-19-7-4-5-11-22(19)20/h1-5,7,9-11,20H,6,8,12-18H2
InChIKey
MERMSSSTSLGXJR-UHFFFAOYSA-N
Compound name
1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 180.6
[M+Na]+ 343.21447 183.9
[M-H]- 319.21797 186.4
[M+NH4]+ 338.25907 193.9
[M+K]+ 359.18841 177.1
[M+H-H2O]+ 303.22251 169.3
[M+HCOO]- 365.22345 195.5
[M+CH3COO]- 379.23910 188.9
[M+Na-2H]- 341.19992 180.8
[M]+ 320.22470 174.9
[M]- 320.22580 174.9
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.