CID 12579818

Piperazine, 1-((6-methoxy-3-phenyl-2-benzofuranyl)methyl)-4-phenyl-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C26H26N2O2
SMILES
COC1=CC2=C(C=C1)C(=C(O2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2O2/c1-29-22-12-13-23-24(18-22)30-25(26(23)20-8-4-2-5-9-20)19-27-14-16-28(17-15-27)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3
InChIKey
WHSJTDIDRMBHII-UHFFFAOYSA-N
Compound name
1-[(6-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 198.4
[M+Na]+ 421.18865 205.0
[M-H]- 397.19215 209.3
[M+NH4]+ 416.23325 207.1
[M+K]+ 437.16259 198.9
[M+H-H2O]+ 381.19669 186.0
[M+HCOO]- 443.19763 215.2
[M+CH3COO]- 457.21328 207.3
[M+Na-2H]- 419.17410 199.5
[M]+ 398.19888 198.3
[M]- 398.19998 198.3
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.