CID 611221

Ethyl 5-amino-4-carbamoyl-3-methylthiophene-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
CCOC(=O)C1=C(C(=C(S1)N)C(=O)N)C
InChI
InChI=1S/C9H12N2O3S/c1-3-14-9(13)6-4(2)5(7(10)12)8(11)15-6/h3,11H2,1-2H3,(H2,10,12)
InChIKey
TYAIJSWXQLXFRO-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-carbamoyl-3-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

228.05687 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 151.4
[M+Na]+ 251.04609 158.4
[M+NH4]+ 246.09069 157.6
[M+K]+ 267.02003 155.4
[M-H]- 227.04959 151.7
[M+Na-2H]- 249.03154 152.8
[M]+ 228.05632 152.4
[M]- 228.05742 152.4
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.