CID 205088

Brn 0901644

Structural Information

Molecular Formula
C25H21ClN2O2
SMILES
C1CN(CCN1C2=CC=CC=C2Cl)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H21ClN2O2/c26-21-12-6-7-13-22(21)27-14-16-28(17-15-27)25(18-8-2-1-3-9-18)23(29)19-10-4-5-11-20(19)24(25)30/h1-13H,14-17H2
InChIKey
HGHXGTSCCXRDOY-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.12915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13643 200.5
[M+Na]+ 439.11837 217.9
[M+NH4]+ 434.16297 210.8
[M+K]+ 455.09231 207.0
[M-H]- 415.12187 208.6
[M+Na-2H]- 437.10382 211.6
[M]+ 416.12860 205.9
[M]- 416.12970 205.9
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.