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 203.9
[M+Na]+ 437.21996 208.0
[M-H]- 413.22346 211.0
[M+NH4]+ 432.26456 213.7
[M+K]+ 453.19390 199.8
[M+H-H2O]+ 397.22800 191.7
[M+HCOO]- 459.22894 215.6
[M+CH3COO]- 473.24459 210.3
[M+Na-2H]- 435.20541 202.7
[M]+ 414.23019 197.7
[M]- 414.23129 197.7
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.