CID 2732875

Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4h-pyran-3-carboxylate

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)C
InChI
InChI=1S/C16H15ClN2O3/c1-3-21-16(20)13-9(2)22-15(19)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7,14H,3,19H2,1-2H3
InChIKey
BZLJSLREZDBQBR-UHFFFAOYSA-N
Compound name
ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.07712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 174.9
[M+Na]+ 341.06634 186.3
[M-H]- 317.06984 181.0
[M+NH4]+ 336.11094 187.5
[M+K]+ 357.04028 181.4
[M+H-H2O]+ 301.07438 161.9
[M+HCOO]- 363.07532 188.8
[M+CH3COO]- 377.09097 218.6
[M+Na-2H]- 339.05179 175.4
[M]+ 318.07657 173.6
[M]- 318.07767 173.6
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.