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 204.7
[M+Na]+ 445.24618 206.4
[M-H]- 421.24968 210.3
[M+NH4]+ 440.29078 214.3
[M+K]+ 461.22012 201.7
[M+H-H2O]+ 405.25422 192.9
[M+HCOO]- 467.25516 212.0
[M+CH3COO]- 481.27081 210.3
[M+Na-2H]- 443.23163 203.1
[M]+ 422.25641 199.4
[M]- 422.25751 199.4
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.