CID 3069862

85418-66-2

Structural Information

Molecular Formula
C28H38N2O4
SMILES
CCOC(CN1CCN(CC1)CC23C(CCCC2O)C4=C(O3)C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C28H38N2O4/c1-3-33-26(21-8-5-4-6-9-21)19-29-14-16-30(17-15-29)20-28-24(10-7-11-27(28)31)23-18-22(32-2)12-13-25(23)34-28/h4-6,8-9,12-13,18,24,26-27,31H,3,7,10-11,14-17,19-20H2,1-2H3
InChIKey
ISQLISQDEPCFBV-UHFFFAOYSA-N
Compound name
4a-[[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]methyl]-8-methoxy-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.28317 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.29045 218.4
[M+Na]+ 489.27239 229.4
[M+NH4]+ 484.31699 226.6
[M+K]+ 505.24633 221.7
[M-H]- 465.27589 224.3
[M+Na-2H]- 487.25784 222.3
[M]+ 466.28262 221.7
[M]- 466.28372 221.7
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.