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 215.7
[M+Na]+ 481.16534 222.3
[M-H]- 457.16884 225.2
[M+NH4]+ 476.20994 225.9
[M+K]+ 497.13928 213.0
[M+H-H2O]+ 441.17338 202.6
[M+HCOO]- 503.17432 225.6
[M+CH3COO]- 517.18997 222.8
[M+Na-2H]- 479.15079 213.0
[M]+ 458.17557 214.5
[M]- 458.17667 214.5
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.