CID 208228

Brn 0863088

Structural Information

Molecular Formula
C28H27ClN2O2
SMILES
C1CN(CCN1CCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C28H27ClN2O2/c29-24-13-6-7-14-25(24)31-19-17-30(18-20-31)16-8-15-28(21-9-2-1-3-10-21)26(32)22-11-4-5-12-23(22)27(28)33/h1-7,9-14H,8,15-20H2
InChIKey
WKNKPKZNKUHIQC-UHFFFAOYSA-N
Compound name
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.17612 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18340 213.9
[M+Na]+ 481.16534 230.6
[M+NH4]+ 476.20994 223.6
[M+K]+ 497.13928 219.0
[M-H]- 457.16884 221.8
[M+Na-2H]- 479.15079 224.1
[M]+ 458.17557 219.1
[M]- 458.17667 219.1
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.