CID 208233

31805-02-4

Structural Information

Molecular Formula
C29H34N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C29H34N2O3/c1-34-26-15-8-7-14-25(26)31-20-18-30(19-21-31)17-9-16-29(22-10-3-2-4-11-22)27(32)23-12-5-6-13-24(23)28(29)33/h2-8,10-15,27-28,32-33H,9,16-21H2,1H3
InChIKey
YRRLKHVPBHGPBR-UHFFFAOYSA-N
Compound name
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25696 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 215.5
[M+Na]+ 481.24618 219.2
[M-H]- 457.24968 222.6
[M+NH4]+ 476.29078 223.6
[M+K]+ 497.22012 211.6
[M+H-H2O]+ 441.25422 203.0
[M+HCOO]- 503.25516 226.6
[M+CH3COO]- 517.27081 221.2
[M+Na-2H]- 479.23163 212.8
[M]+ 458.25641 211.7
[M]- 458.25751 211.7
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.