CID 210711

Brn 0862707

Structural Information

Molecular Formula
C28H28N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2O3/c1-33-23-13-11-22(12-14-23)30-19-17-29(18-20-30)16-15-28(21-7-3-2-4-8-21)26(31)24-9-5-6-10-25(24)27(28)32/h2-14H,15-20H2,1H3
InChIKey
HZTKDJXLDPJUGI-UHFFFAOYSA-N
Compound name
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21728 210.8
[M+Na]+ 463.19922 226.1
[M+NH4]+ 458.24382 219.7
[M+K]+ 479.17316 216.1
[M-H]- 439.20272 218.2
[M+Na-2H]- 461.18467 220.6
[M]+ 440.20945 215.4
[M]- 440.21055 215.4
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.