CID 3062495

98236-19-2

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1CC2=CC=CC=C2C1C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O/c23-20(19-11-10-16-6-4-5-9-18(16)19)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-9,19H,10-15H2
InChIKey
CFCOFAKMZMDIQG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-1-yl-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.3
[M+Na]+ 329.16244 188.8
[M+NH4]+ 324.20704 184.4
[M+K]+ 345.13638 182.0
[M-H]- 305.16594 181.1
[M+Na-2H]- 327.14789 183.2
[M]+ 306.17267 178.9
[M]- 306.17377 178.9
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.