CID 3156232

Ethyl 6-amino-5-cyano-2-phenyl-4-(pyridin-3-yl)-4h-pyran-3-carboxylate

Structural Information

Molecular Formula
C20H17N3O3
SMILES
CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=CC=C3
InChI
InChI=1S/C20H17N3O3/c1-2-25-20(24)17-16(14-9-6-10-23-12-14)15(11-21)19(22)26-18(17)13-7-4-3-5-8-13/h3-10,12,16H,2,22H2,1H3
InChIKey
WOZMJEMYAGETRK-UHFFFAOYSA-N
Compound name
ethyl 6-amino-5-cyano-2-phenyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

347.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 186.6
[M+Na]+ 370.11620 200.3
[M+NH4]+ 365.16080 189.7
[M+K]+ 386.09014 190.1
[M-H]- 346.11970 185.6
[M+Na-2H]- 368.10165 191.6
[M]+ 347.12643 187.5
[M]- 347.12753 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.