CID 3040070

Brn 0902838

Structural Information

Molecular Formula
C29H28N2O3
SMILES
C1CN(CCN1CCC(=O)CC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H28N2O3/c32-24(15-16-30-17-19-31(20-18-30)23-11-5-2-6-12-23)21-29(22-9-3-1-4-10-22)27(33)25-13-7-8-14-26(25)28(29)34/h1-14H,15-21H2
InChIKey
VIXRCDMFIHNPOH-UHFFFAOYSA-N
Compound name
2-[2-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.21 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21728 213.2
[M+Na]+ 475.19922 227.5
[M+NH4]+ 470.24382 221.4
[M+K]+ 491.17316 217.9
[M-H]- 451.20272 220.0
[M+Na-2H]- 473.18467 222.6
[M]+ 452.20945 217.3
[M]- 452.21055 217.3
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.