CID 726323

304896-19-3

Structural Information

Molecular Formula
C21H13N3O2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C21H13N3O2/c22-13-15-6-8-18(9-7-15)24-21(25)17(14-23)12-19-10-11-20(26-19)16-4-2-1-3-5-16/h1-12H,(H,24,25)/b17-12+
InChIKey
WZYNKTFTGOFYDA-SFQUDFHCSA-N
Compound name
(E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.10077 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10805 196.4
[M+Na]+ 362.08999 205.8
[M-H]- 338.09349 201.4
[M+NH4]+ 357.13459 204.1
[M+K]+ 378.06393 197.7
[M+H-H2O]+ 322.09803 178.3
[M+HCOO]- 384.09897 207.6
[M+CH3COO]- 398.11462 201.1
[M+Na-2H]- 360.07544 194.0
[M]+ 339.10022 187.3
[M]- 339.10132 187.3
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.