CID 210722

Brn 0588376

Structural Information

Molecular Formula
C27H30N2O2
SMILES
C1CN(CCN1CCC2(C(C3=CC=CC=C3C2O)O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H30N2O2/c30-25-23-13-7-8-14-24(23)26(31)27(25,21-9-3-1-4-10-21)15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14,25-26,30-31H,15-20H2
InChIKey
OMTHDQCTMUBONW-UHFFFAOYSA-N
Compound name
2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23802 206.1
[M+Na]+ 437.21996 220.6
[M+NH4]+ 432.26456 215.6
[M+K]+ 453.19390 210.8
[M-H]- 413.22346 213.5
[M+Na-2H]- 435.20541 215.7
[M]+ 414.23019 210.5
[M]- 414.23129 210.5
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.