CID 205086

1,3-indandione, 2-phenyl-2-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C25H22N2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H22N2O2/c28-23-21-13-7-8-14-22(21)24(29)25(23,19-9-3-1-4-10-19)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKey
DFDJPTPNKYCEPH-UHFFFAOYSA-N
Compound name
2-phenyl-2-(4-phenylpiperazin-1-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17540 195.0
[M+Na]+ 405.15734 201.4
[M-H]- 381.16084 205.1
[M+NH4]+ 400.20194 207.2
[M+K]+ 421.13128 193.9
[M+H-H2O]+ 365.16538 182.3
[M+HCOO]- 427.16632 210.7
[M+CH3COO]- 441.18197 203.6
[M+Na-2H]- 403.14279 195.2
[M]+ 382.16757 190.1
[M]- 382.16867 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.