CID 3053272

Brn 0852337

Structural Information

Molecular Formula
C26H26N2O2
SMILES
COC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2O2/c1-29-22-12-13-24-23(18-22)26(20-8-4-2-5-9-20)25(30-24)19-27-14-16-28(17-15-27)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3
InChIKey
YWMGCQMLTCQOQS-UHFFFAOYSA-N
Compound name
1-[(5-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.19943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 199.3
[M+Na]+ 421.18865 217.2
[M+NH4]+ 416.23325 208.1
[M+K]+ 437.16259 208.5
[M-H]- 397.19215 209.4
[M+Na-2H]- 419.17410 210.0
[M]+ 398.19888 205.0
[M]- 398.19998 205.0
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.