CID 6375554

Schembl21225644

Structural Information

Molecular Formula
C22H19NO2
SMILES
C=CC(=O)N1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1
InChI
InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13-,20-14+
InChIKey
FYXRGLSUYBQDPY-LRVMPXQBSA-N
Compound name
(3Z,5E)-3,5-dibenzylidene-1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.148846 179.8
[M+Na]+ 352.130788 185.1
[M-H]- 328.134294 187.1
[M+NH4]+ 347.175393 191.5
[M+K]+ 368.104728 177.8
[M+H-H2O]+ 312.138830 169.7
[M+HCOO]- 374.139771 197.5
[M+CH3COO]- 388.155421 208.2
[M+Na-2H]- 350.116236 179.7
[M]+ 329.14102142 174.7
[M]- 329.14211858 174.7
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

patents stripe