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]+ 321.232526 180.6
[M+Na]+ 343.214468 183.9
[M-H]- 319.217974 186.4
[M+NH4]+ 338.259073 193.9
[M+K]+ 359.188408 177.1
[M+H-H2O]+ 303.222510 169.3
[M+HCOO]- 365.223451 195.5
[M+CH3COO]- 379.239101 188.9
[M+Na-2H]- 341.199916 180.8
[M]+ 320.22470142 174.9
[M]- 320.22579858 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.