CID 3039724

Brn 0864131

Structural Information

Molecular Formula
C29H29ClN2O2
SMILES
C1CN(CCN1CCCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C29H29ClN2O2/c30-25-14-6-7-15-26(25)32-20-18-31(19-21-32)17-9-8-16-29(22-10-2-1-3-11-22)27(33)23-12-4-5-13-24(23)28(29)34/h1-7,10-15H,8-9,16-21H2
InChIKey
ZHIGCEUYCQRIHC-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.19174 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19902 218.3
[M+Na]+ 495.18096 234.8
[M+NH4]+ 490.22556 227.8
[M+K]+ 511.15490 223.0
[M-H]- 471.18446 226.2
[M+Na-2H]- 493.16641 228.2
[M]+ 472.19119 223.5
[M]- 472.19229 223.5
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.