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 149.7
[M+Na]+ 251.04609 157.6
[M-H]- 227.04959 153.1
[M+NH4]+ 246.09069 169.2
[M+K]+ 267.02003 155.3
[M+H-H2O]+ 211.05413 143.7
[M+HCOO]- 273.05507 169.0
[M+CH3COO]- 287.07072 192.9
[M+Na-2H]- 249.03154 147.0
[M]+ 228.05632 151.5
[M]- 228.05742 151.5
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.