CID 6481397

1-(4-benzoylpiperazin-1-yl)-2-(4-methoxybenzofuran-2-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C22H20N2O5
SMILES
COC1=CC=CC2=C1C=C(O2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2O5/c1-28-17-8-5-9-18-16(17)14-19(29-18)20(25)22(27)24-12-10-23(11-13-24)21(26)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChIKey
BMQQBDZRWBIKQS-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1-benzofuran-2-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 190.9
[M+Na]+ 415.12642 196.5
[M-H]- 391.12992 199.3
[M+NH4]+ 410.17102 199.7
[M+K]+ 431.10036 193.9
[M+H-H2O]+ 375.13446 180.6
[M+HCOO]- 437.13540 206.3
[M+CH3COO]- 451.15105 218.9
[M+Na-2H]- 413.11187 190.5
[M]+ 392.13665 192.4
[M]- 392.13775 192.4
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.