CID 16111872

Chembl227846

Structural Information

Molecular Formula
C26H21NO2
SMILES
C\1N(C/C(=C\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO2/c28-25-23(16-20-10-4-1-5-11-20)18-27(26(29)22-14-8-3-9-15-22)19-24(25)17-21-12-6-2-7-13-21/h1-17H,18-19H2/b23-16+,24-17+
InChIKey
OZHYSMNFNCQACV-WPHIWBHXSA-N
Compound name
(3E,5E)-1-benzoyl-3,5-dibenzylidenepiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

379.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16451 194.4
[M+Na]+ 402.14645 198.7
[M-H]- 378.14995 204.2
[M+NH4]+ 397.19105 203.2
[M+K]+ 418.12039 190.6
[M+H-H2O]+ 362.15449 182.3
[M+HCOO]- 424.15543 211.4
[M+CH3COO]- 438.17108 202.4
[M+Na-2H]- 400.13190 194.3
[M]+ 379.15668 188.3
[M]- 379.15778 188.3
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

No patent data available for this compound.