CID 3057811

Brn 5150457

Structural Information

Molecular Formula
C27H28N2O2
SMILES
CC1=CC2=C(C=C1)C(=C(O2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C27H28N2O2/c1-20-8-13-24-25(18-20)31-26(27(24)21-9-11-23(30-2)12-10-21)19-28-14-16-29(17-15-28)22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3
InChIKey
XIYIPFPDRRHAJY-UHFFFAOYSA-N
Compound name
1-[[3-(4-methoxyphenyl)-6-methyl-1-benzofuran-2-yl]methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2151 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.222376 203.9
[M+Na]+ 435.204318 210.9
[M-H]- 411.207824 215.0
[M+NH4]+ 430.248923 212.3
[M+K]+ 451.178258 204.6
[M+H-H2O]+ 395.212360 191.5
[M+HCOO]- 457.213301 220.3
[M+CH3COO]- 471.228951 212.6
[M+Na-2H]- 433.189766 203.7
[M]+ 412.21455142 204.5
[M]- 412.21564858 204.5
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.