CID 5788723

67469-57-2

Structural Information

Molecular Formula
C28H32N2O
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
InChIKey
XFBDGHFDKJITGC-JLHYYAGUSA-N
Compound name
1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

64
References

94
Patents

412.25146 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 208.0
[M+Na]+ 435.24068 223.3
[M+NH4]+ 430.28528 215.7
[M+K]+ 451.21462 211.8
[M-H]- 411.24418 216.0
[M+Na-2H]- 433.22613 219.2
[M]+ 412.25091 212.6
[M]- 412.25201 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe