CID 45051435

3-(3-fluorophenyl)-n-(4-phenoxyphenyl)-2-propenamide

Structural Information

Molecular Formula
C21H16FNO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)F
InChI
InChI=1S/C21H16FNO2/c22-17-6-4-5-16(15-17)9-14-21(24)23-18-10-12-20(13-11-18)25-19-7-2-1-3-8-19/h1-15H,(H,23,24)/b14-9+
InChIKey
OQKGCAPMMOKHFB-NTEUORMPSA-N
Compound name
(E)-3-(3-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11652 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12380 178.3
[M+Na]+ 356.10574 184.4
[M-H]- 332.10924 186.3
[M+NH4]+ 351.15034 190.9
[M+K]+ 372.07968 178.2
[M+H-H2O]+ 316.11378 167.6
[M+HCOO]- 378.11472 201.2
[M+CH3COO]- 392.13037 210.9
[M+Na-2H]- 354.09119 182.1
[M]+ 333.11597 176.7
[M]- 333.11707 176.7
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

No patent data available for this compound.