CID 205093

Brn 0589211

Structural Information

Molecular Formula
C26H28N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C26H28N2O3/c1-31-21-13-11-20(12-14-21)27-15-17-28(18-16-27)26(19-7-3-2-4-8-19)24(29)22-9-5-6-10-23(22)25(26)30/h2-14,24-25,29-30H,15-18H2,1H3
InChIKey
WKLXDHJQROETAM-UHFFFAOYSA-N
Compound name
2-[4-(4-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 203.0
[M+Na]+ 439.19922 208.2
[M-H]- 415.20272 210.8
[M+NH4]+ 434.24382 213.0
[M+K]+ 455.17316 201.1
[M+H-H2O]+ 399.20726 191.2
[M+HCOO]- 461.20820 215.2
[M+CH3COO]- 475.22385 210.1
[M+Na-2H]- 437.18467 201.9
[M]+ 416.20945 198.4
[M]- 416.21055 198.4
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.