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 184.9
[M+Na]+ 355.08532 193.9
[M-H]- 331.08882 191.4
[M+NH4]+ 350.12992 196.3
[M+K]+ 371.05926 186.8
[M+H-H2O]+ 315.09336 168.7
[M+HCOO]- 377.09430 203.1
[M+CH3COO]- 391.10995 219.0
[M+Na-2H]- 353.07077 185.0
[M]+ 332.09555 178.3
[M]- 332.09665 178.3
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.