CID 5124035

1-(3-dibenzofuryl)-3-(4-(2-methoxyphenyl)piperazino)-1-propanone

Structural Information

Molecular Formula
C26H26N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54
InChI
InChI=1S/C26H26N2O3/c1-30-26-9-5-3-7-22(26)28-16-14-27(15-17-28)13-12-23(29)19-10-11-25-21(18-19)20-6-2-4-8-24(20)31-25/h2-11,18H,12-17H2,1H3
InChIKey
CDZUHAREOQMHRR-UHFFFAOYSA-N
Compound name
1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19434 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 201.7
[M+Na]+ 437.18356 207.8
[M-H]- 413.18706 210.3
[M+NH4]+ 432.22816 210.7
[M+K]+ 453.15750 202.4
[M+H-H2O]+ 397.19160 189.9
[M+HCOO]- 459.19254 216.2
[M+CH3COO]- 473.20819 209.9
[M+Na-2H]- 435.16901 202.5
[M]+ 414.19379 203.0
[M]- 414.19489 203.0
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.