CID 5469427

Nsc687850

Structural Information

Molecular Formula
C22H17F2NO2
SMILES
C=CC(=O)N1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1
InChI
InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+
InChIKey
JTMAQMMHQYJZRV-JYFOCSDGSA-N
Compound name
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

365.12274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13002 186.2
[M+Na]+ 388.11196 193.5
[M-H]- 364.11546 191.4
[M+NH4]+ 383.15656 196.9
[M+K]+ 404.08590 185.3
[M+H-H2O]+ 348.12000 174.5
[M+HCOO]- 410.12094 201.7
[M+CH3COO]- 424.13659 216.0
[M+Na-2H]- 386.09741 183.4
[M]+ 365.12219 179.9
[M]- 365.12329 179.9
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.