CID 706051

Ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C12H13NO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)N
InChI
InChI=1S/C12H13NO3S/c1-3-15-12(14)10-8(6-17-11(10)13)9-5-4-7(2)16-9/h4-6H,3,13H2,1-2H3
InChIKey
BGFHMNNBBDLFDU-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

251.06161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06889 155.9
[M+Na]+ 274.05083 166.5
[M-H]- 250.05433 164.8
[M+NH4]+ 269.09543 176.1
[M+K]+ 290.02477 164.6
[M+H-H2O]+ 234.05887 150.7
[M+HCOO]- 296.05981 178.2
[M+CH3COO]- 310.07546 192.9
[M+Na-2H]- 272.03628 155.3
[M]+ 251.06106 162.7
[M]- 251.06216 162.7
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.