CID 68664

Befuraline hydrochloride

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
1
Annotation Hits

20
References

540
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

literature stripe

Patent stripe

patents stripe