CID 3062496

98236-20-5

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c24-21(16-18-11-10-17-6-4-5-9-20(17)18)23-14-12-22(13-15-23)19-7-2-1-3-8-19/h1-9,18H,10-16H2
InChIKey
IDYIACGXWIWJAA-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.9
[M+Na]+ 343.17809 182.6
[M-H]- 319.18159 185.2
[M+NH4]+ 338.22269 192.1
[M+K]+ 359.15203 176.7
[M+H-H2O]+ 303.18613 168.1
[M+HCOO]- 365.18707 193.6
[M+CH3COO]- 379.20272 187.5
[M+Na-2H]- 341.16354 178.7
[M]+ 320.18832 173.1
[M]- 320.18942 173.1
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.