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]+ 413.22238 203.9
[M+Na]+ 435.20432 210.9
[M-H]- 411.20782 215.0
[M+NH4]+ 430.24892 212.3
[M+K]+ 451.17826 204.6
[M+H-H2O]+ 395.21236 191.5
[M+HCOO]- 457.21330 220.3
[M+CH3COO]- 471.22895 212.6
[M+Na-2H]- 433.18977 203.7
[M]+ 412.21455 204.5
[M]- 412.21565 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.