CID 6382189

Nsc630599

Structural Information

Molecular Formula
C21H19NO2
SMILES
CC(=O)N1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1
InChI
InChI=1S/C21H19NO2/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3/b19-12-,20-13+
InChIKey
SEWXXLFUDNZPAF-ZEDXCMECSA-N
Compound name
(3Z,5E)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14885 176.6
[M+Na]+ 340.13079 182.1
[M-H]- 316.13429 184.0
[M+NH4]+ 335.17539 188.9
[M+K]+ 356.10473 175.6
[M+H-H2O]+ 300.13883 166.6
[M+HCOO]- 362.13977 194.4
[M+CH3COO]- 376.15542 205.9
[M+Na-2H]- 338.11624 177.0
[M]+ 317.14102 171.8
[M]- 317.14212 171.8
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.