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]+ 383.175396 195.0
[M+Na]+ 405.157338 201.4
[M-H]- 381.160844 205.1
[M+NH4]+ 400.201943 207.2
[M+K]+ 421.131278 193.9
[M+H-H2O]+ 365.165380 182.3
[M+HCOO]- 427.166321 210.7
[M+CH3COO]- 441.181971 203.6
[M+Na-2H]- 403.142786 195.2
[M]+ 382.16757142 190.1
[M]- 382.16866858 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.