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]+ 243.07979 154.1
[M+Na]+ 265.06173 161.7
[M-H]- 241.06523 157.9
[M+NH4]+ 260.10633 173.4
[M+K]+ 281.03567 159.5
[M+H-H2O]+ 225.06977 148.0
[M+HCOO]- 287.07071 173.7
[M+CH3COO]- 301.08636 195.8
[M+Na-2H]- 263.04718 151.9
[M]+ 242.07196 157.2
[M]- 242.07306 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.