CID 1556668

304896-16-0

Structural Information

Molecular Formula
C20H13ClN2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C20H13ClN2O2/c21-17-8-4-5-9-18(17)23-20(24)15(13-22)12-16-10-11-19(25-16)14-6-2-1-3-7-14/h1-12H,(H,23,24)/b15-12+
InChIKey
SPKIZYHHWPTLNC-NTCAYCPXSA-N
Compound name
(E)-N-(2-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 191.7
[M+Na]+ 371.05578 201.7
[M-H]- 347.05928 199.3
[M+NH4]+ 366.10038 203.4
[M+K]+ 387.02972 193.1
[M+H-H2O]+ 331.06382 176.8
[M+HCOO]- 393.06476 206.7
[M+CH3COO]- 407.08041 200.5
[M+Na-2H]- 369.04123 191.6
[M]+ 348.06601 188.3
[M]- 348.06711 188.3
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.