CID 210715

21569-30-2

Structural Information

Molecular Formula
C27H25ClN2O2
SMILES
C1CN(CCN1CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C27H25ClN2O2/c28-23-12-6-7-13-24(23)30-18-16-29(17-19-30)15-14-27(20-8-2-1-3-9-20)25(31)21-10-4-5-11-22(21)26(27)32/h1-13H,14-19H2
InChIKey
ANLDYWYNMYWYIX-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16046 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16774 209.4
[M+Na]+ 467.14968 226.3
[M+NH4]+ 462.19428 219.3
[M+K]+ 483.12362 215.0
[M-H]- 443.15318 217.4
[M+Na-2H]- 465.13513 219.9
[M]+ 444.15991 214.8
[M]- 444.16101 214.8
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.