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 176.5
[M+Na]+ 345.15734 183.7
[M-H]- 321.16084 184.7
[M+NH4]+ 340.20194 188.9
[M+K]+ 361.13128 179.3
[M+H-H2O]+ 305.16538 166.0
[M+HCOO]- 367.16632 194.5
[M+CH3COO]- 381.18197 187.0
[M+Na-2H]- 343.14279 179.8
[M]+ 322.16757 177.0
[M]- 322.16867 177.0
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.