CID 68664

Befuraline

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C20H20N2O2/c23-20(19-14-17-8-4-5-9-18(17)24-19)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKey
SRIJFPBZWUFLFD-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

581
Patents

320.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 175.5
[M+Na]+ 343.14169 181.9
[M-H]- 319.14519 183.5
[M+NH4]+ 338.18629 187.6
[M+K]+ 359.11563 177.4
[M+H-H2O]+ 303.14973 165.1
[M+HCOO]- 365.15067 192.7
[M+CH3COO]- 379.16632 185.7
[M+Na-2H]- 341.12714 178.4
[M]+ 320.15192 174.3
[M]- 320.15302 174.3
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.