CID 205096

Brn 0591077

Structural Information

Molecular Formula
C26H28N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C26H28N2O3/c1-31-23-14-8-7-13-22(23)27-15-17-28(18-16-27)26(19-9-3-2-4-10-19)24(29)20-11-5-6-12-21(20)25(26)30/h2-14,24-25,29-30H,15-18H2,1H3
InChIKey
JRQOUAJYRPCIGW-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 204.6
[M+Na]+ 439.19922 219.2
[M+NH4]+ 434.24382 213.6
[M+K]+ 455.17316 210.3
[M-H]- 415.20272 211.6
[M+Na-2H]- 437.18467 213.9
[M]+ 416.20945 208.9
[M]- 416.21055 208.9
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.