CID 5351375

Nsc638634

Structural Information

Molecular Formula
C28H23NO2
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/CN1C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H23NO2/c30-27(17-16-22-10-4-1-5-11-22)29-20-25(18-23-12-6-2-7-13-23)28(31)26(21-29)19-24-14-8-3-9-15-24/h1-19H,20-21H2/b17-16+,25-18-,26-19+
InChIKey
VWRVRYWIRXZQDO-PLBLCFTRSA-N
Compound name
(3Z,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

405.17288 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18016 202.4
[M+Na]+ 428.16210 206.1
[M-H]- 404.16560 211.8
[M+NH4]+ 423.20670 210.1
[M+K]+ 444.13604 197.1
[M+H-H2O]+ 388.17014 190.0
[M+HCOO]- 450.17108 218.9
[M+CH3COO]- 464.18673 209.6
[M+Na-2H]- 426.14755 201.2
[M]+ 405.17233 196.1
[M]- 405.17343 196.1
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.