CID 16413848

4-(4-ethoxyphenyl)-n-(4-fluorophenyl)-4-oxo-2-butenamide

Structural Information

Molecular Formula
C18H16FNO3
SMILES
CCOC1=CC=C(C=C1)C(=O)/C=C\C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C18H16FNO3/c1-2-23-16-9-3-13(4-10-16)17(21)11-12-18(22)20-15-7-5-14(19)6-8-15/h3-12H,2H2,1H3,(H,20,22)/b12-11-
InChIKey
WLLCRGLVMAKYAZ-QXMHVHEDSA-N
Compound name
(Z)-4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-4-oxobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.11142 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11870 173.9
[M+Na]+ 336.10064 185.4
[M+NH4]+ 331.14524 179.7
[M+K]+ 352.07458 178.5
[M-H]- 312.10414 175.9
[M+Na-2H]- 334.08609 180.5
[M]+ 313.11087 175.8
[M]- 313.11197 175.8
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.