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]+ 330.14885 179.8
[M+Na]+ 352.13079 185.1
[M-H]- 328.13429 187.1
[M+NH4]+ 347.17539 191.5
[M+K]+ 368.10473 177.8
[M+H-H2O]+ 312.13883 169.7
[M+HCOO]- 374.13977 197.5
[M+CH3COO]- 388.15542 208.2
[M+Na-2H]- 350.11624 179.7
[M]+ 329.14102 174.7
[M]- 329.14212 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