CID 3069864

85418-68-4

Structural Information

Molecular Formula
C26H34N2O3
SMILES
COC(CN1CCN(CC1)CC23C(CCCC2O)C4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C26H34N2O3/c1-30-24(20-8-3-2-4-9-20)18-27-14-16-28(17-15-27)19-26-22(11-7-13-25(26)29)21-10-5-6-12-23(21)31-26/h2-6,8-10,12,22,24-25,29H,7,11,13-19H2,1H3
InChIKey
CKKBVZPXRLMPBI-UHFFFAOYSA-N
Compound name
4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.25696 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26424 207.1
[M+Na]+ 445.24618 218.7
[M+NH4]+ 440.29078 216.3
[M+K]+ 461.22012 210.6
[M-H]- 421.24968 213.5
[M+Na-2H]- 443.23163 212.1
[M]+ 422.25641 210.7
[M]- 422.25751 210.7
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.