CID 208234

Brn 0592531

Structural Information

Molecular Formula
C29H34N2O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CCCC3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C29H34N2O3/c1-34-24-12-7-11-23(21-24)31-19-17-30(18-20-31)16-8-15-29(22-9-3-2-4-10-22)27(32)25-13-5-6-14-26(25)28(29)33/h2-7,9-14,21,27-28,32-33H,8,15-20H2,1H3
InChIKey
OXKCOEIXUDBCBD-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-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 217.8
[M+Na]+ 481.24618 231.7
[M+NH4]+ 476.29078 226.3
[M+K]+ 497.22012 222.2
[M-H]- 457.24968 224.7
[M+Na-2H]- 479.23163 226.3
[M]+ 458.25641 221.9
[M]- 458.25751 221.9
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.