CID 2839622

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

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)C
InChI
InChI=1S/C14H14N2O3S/c1-3-18-14(17)11-8(2)19-13(16)9(7-15)12(11)10-5-4-6-20-10/h4-6,12H,3,16H2,1-2H3
InChIKey
NYBMJRNRDGDXAX-UHFFFAOYSA-N
Compound name
ethyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 171.5
[M+Na]+ 313.06172 182.2
[M-H]- 289.06522 178.2
[M+NH4]+ 308.10632 186.4
[M+K]+ 329.03566 178.9
[M+H-H2O]+ 273.06976 158.5
[M+HCOO]- 335.07070 186.0
[M+CH3COO]- 349.08635 211.9
[M+Na-2H]- 311.04717 169.7
[M]+ 290.07195 170.0
[M]- 290.07305 170.0
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.