CID 726312

304896-17-1

Structural Information

Molecular Formula
C20H13ClN2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H13ClN2O2/c21-16-7-4-8-17(12-16)23-20(24)15(13-22)11-18-9-10-19(25-18)14-5-2-1-3-6-14/h1-12H,(H,23,24)/b15-11+
InChIKey
AKAXVBKTFDNURX-RVDMUPIBSA-N
Compound name
(E)-N-(3-chlorophenyl)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.06656 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07384 184.7
[M+Na]+ 371.05578 198.3
[M+NH4]+ 366.10038 188.9
[M+K]+ 387.02972 188.4
[M-H]- 347.05928 183.9
[M+Na-2H]- 369.04123 190.2
[M]+ 348.06601 185.9
[M]- 348.06711 185.9
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.