CID 2779708

Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)C
InChI
InChI=1S/C16H16N2O3/c1-3-20-16(19)13-10(2)21-15(18)12(9-17)14(13)11-7-5-4-6-8-11/h4-8,14H,3,18H2,1-2H3
InChIKey
XTMWVOYEFHWDDN-UHFFFAOYSA-N
Compound name
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

284.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 167.6
[M+Na]+ 307.10532 179.7
[M+NH4]+ 302.14992 171.1
[M+K]+ 323.07926 170.8
[M-H]- 283.10882 165.0
[M+Na-2H]- 305.09077 170.7
[M]+ 284.11555 167.7
[M]- 284.11665 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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