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]+ 348.134256 187.0
[M+Na]+ 370.116198 196.1
[M-H]- 346.119704 192.9
[M+NH4]+ 365.160803 195.0
[M+K]+ 386.090138 190.5
[M+H-H2O]+ 330.124240 170.0
[M+HCOO]- 392.125181 203.1
[M+CH3COO]- 406.140831 223.7
[M+Na-2H]- 368.101646 188.2
[M]+ 347.12643142 181.9
[M]- 347.12752858 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.