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]+ 229.064146 149.7
[M+Na]+ 251.046088 157.6
[M-H]- 227.049594 153.1
[M+NH4]+ 246.090693 169.2
[M+K]+ 267.020028 155.3
[M+H-H2O]+ 211.054130 143.7
[M+HCOO]- 273.055071 169.0
[M+CH3COO]- 287.070721 192.9
[M+Na-2H]- 249.031536 147.0
[M]+ 228.05632142 151.5
[M]- 228.05741858 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.