CID 3040071

Indan-1,3-dione, 2-(2-oxo-4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-2-phenyl-

Structural Information

Molecular Formula
C30H30N2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)CC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O4/c1-36-27-14-8-7-13-26(27)32-19-17-31(18-20-32)16-15-23(33)21-30(22-9-3-2-4-10-22)28(34)24-11-5-6-12-25(24)29(30)35/h2-14H,15-21H2,1H3
InChIKey
NNTQQSZNSGPDRS-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxobutyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.22055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.227826 220.4
[M+Na]+ 505.209768 224.6
[M-H]- 481.213274 230.0
[M+NH4]+ 500.254373 228.3
[M+K]+ 521.183708 218.0
[M+H-H2O]+ 465.217810 207.2
[M+HCOO]- 527.218751 233.6
[M+CH3COO]- 541.234401 226.7
[M+Na-2H]- 503.195216 216.9
[M]+ 482.22000142 219.0
[M]- 482.22109858 219.0
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.