CID 2435390

Ethyl 2-amino-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)NC)N
InChI
InChI=1S/C10H14N2O3S/c1-4-15-10(14)6-5(2)7(9(13)12-3)16-8(6)11/h4,11H2,1-3H3,(H,12,13)
InChIKey
BWHSRARJTQMOJM-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 154.1
[M+Na]+ 265.061728 161.7
[M-H]- 241.065234 157.9
[M+NH4]+ 260.106333 173.4
[M+K]+ 281.035668 159.5
[M+H-H2O]+ 225.069770 148.0
[M+HCOO]- 287.070711 173.7
[M+CH3COO]- 301.086361 195.8
[M+Na-2H]- 263.047176 151.9
[M]+ 242.07196142 157.2
[M]- 242.07305858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.