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]+ 291.079776 171.5
[M+Na]+ 313.061718 182.2
[M-H]- 289.065224 178.2
[M+NH4]+ 308.106323 186.4
[M+K]+ 329.035658 178.9
[M+H-H2O]+ 273.069760 158.5
[M+HCOO]- 335.070701 186.0
[M+CH3COO]- 349.086351 211.9
[M+Na-2H]- 311.047166 169.7
[M]+ 290.07195142 170.0
[M]- 290.07304858 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.