CID 3379791

Dtxsid101158803

Structural Information

Molecular Formula
C30H27NO
SMILES
C1C(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)CN1CC4=CC=CC=C4
InChI
InChI=1S/C30H27NO/c32-30-28(20-10-18-25-12-4-1-5-13-25)23-31(22-27-16-8-3-9-17-27)24-29(30)21-11-19-26-14-6-2-7-15-26/h1-21H,22-24H2
InChIKey
ACUDLGCHGBLTCW-UHFFFAOYSA-N
Compound name
1-benzyl-3,5-dicinnamylidenepiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.20926 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21654 209.4
[M+Na]+ 440.19848 225.9
[M+NH4]+ 435.24308 216.8
[M+K]+ 456.17242 212.9
[M-H]- 416.20198 217.6
[M+Na-2H]- 438.18393 220.2
[M]+ 417.20871 214.2
[M]- 417.20981 214.2
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.