CID 3156232

6-amino-5-cyano-2-phenyl-4-pyridin-3-yl-4h-pyran-3-carboxylic acid ethyl ester

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 187.0
[M+Na]+ 370.11620 196.1
[M-H]- 346.11970 192.9
[M+NH4]+ 365.16080 195.0
[M+K]+ 386.09014 190.5
[M+H-H2O]+ 330.12424 170.0
[M+HCOO]- 392.12518 203.1
[M+CH3COO]- 406.14083 223.7
[M+Na-2H]- 368.10165 188.2
[M]+ 347.12643 181.9
[M]- 347.12753 181.9
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.