CID 210718

Brn 0593956

Structural Information

Molecular Formula
C28H32N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C28H32N2O3/c1-33-25-14-8-7-13-24(25)30-19-17-29(18-20-30)16-15-28(21-9-3-2-4-10-21)26(31)22-11-5-6-12-23(22)27(28)32/h2-14,26-27,31-32H,15-20H2,1H3
InChIKey
YSPRFWGQELWAKS-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2413 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.24858 211.3
[M+Na]+ 467.23052 215.6
[M-H]- 443.23402 218.7
[M+NH4]+ 462.27512 220.1
[M+K]+ 483.20446 208.1
[M+H-H2O]+ 427.23856 199.1
[M+HCOO]- 489.23950 222.8
[M+CH3COO]- 503.25515 217.5
[M+Na-2H]- 465.21597 209.2
[M]+ 444.24075 207.3
[M]- 444.24185 207.3
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.