CID 120962

Brn 0821398

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=CC2=C(C=C1)OC(=C2)CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O2/c1-23-18-7-8-20-16(13-18)14-19(24-20)15-21-9-11-22(12-10-21)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKey
VLRJTFCQQCHBEY-UHFFFAOYSA-N
Compound name
1-[(5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.1
[M+Na]+ 345.15734 193.0
[M+NH4]+ 340.20194 185.9
[M+K]+ 361.13128 186.0
[M-H]- 321.16084 184.5
[M+Na-2H]- 343.14279 185.9
[M]+ 322.16757 181.6
[M]- 322.16867 181.6
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.