CID 205095

2-(4-(p-chlorophenyl)-1-piperazinyl)-2-phenyl-1,3-indandiol

Structural Information

Molecular Formula
C25H25ClN2O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C25H25ClN2O2/c26-19-10-12-20(13-11-19)27-14-16-28(17-15-27)25(18-6-2-1-3-7-18)23(29)21-8-4-5-9-22(21)24(25)30/h1-13,23-24,29-30H,14-17H2
InChIKey
NUCFBNUADILVPT-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-phenyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.16046 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16774 203.1
[M+Na]+ 443.14968 219.3
[M+NH4]+ 438.19428 213.2
[M+K]+ 459.12362 209.2
[M-H]- 419.15318 210.7
[M+Na-2H]- 441.13513 213.1
[M]+ 420.15991 208.2
[M]- 420.16101 208.2
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.