CID 205094

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

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C25H26N2O2/c28-23-21-13-7-8-14-22(21)24(29)25(23,19-9-3-1-4-10-19)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h1-14,23-24,28-29H,15-18H2
InChIKey
PWBLYALQEYMSCW-UHFFFAOYSA-N
Compound name
2-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.206706 195.5
[M+Na]+ 409.188648 200.6
[M-H]- 385.192154 203.1
[M+NH4]+ 404.233253 206.5
[M+K]+ 425.162588 192.8
[M+H-H2O]+ 369.196690 183.8
[M+HCOO]- 431.197631 208.0
[M+CH3COO]- 445.213281 202.9
[M+Na-2H]- 407.174096 195.4
[M]+ 386.19888142 188.8
[M]- 386.19997858 188.8
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.