CID 726304

304896-13-7

Structural Information

Molecular Formula
C20H13FN2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C20H13FN2O2/c21-16-6-8-17(9-7-16)23-20(24)15(13-22)12-18-10-11-19(25-18)14-4-2-1-3-5-14/h1-12H,(H,23,24)/b15-12+
InChIKey
MKYCQICXODZTOK-NTCAYCPXSA-N
Compound name
(E)-2-cyano-N-(4-fluorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0961 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10338 184.0
[M+Na]+ 355.08532 196.2
[M+NH4]+ 350.12992 187.2
[M+K]+ 371.05926 186.8
[M-H]- 331.08882 181.4
[M+Na-2H]- 353.07077 188.5
[M]+ 332.09555 184.1
[M]- 332.09665 184.1
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.