CID 1573152

4-ethyl 2-(2-methoxyethyl) 5-amino-3-methylthiophene-2,4-dicarboxylate

Structural Information

Molecular Formula
C12H17NO5S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)N
InChI
InChI=1S/C12H17NO5S/c1-4-17-11(14)8-7(2)9(19-10(8)13)12(15)18-6-5-16-3/h4-6,13H2,1-3H3
InChIKey
KHLUOAZWYONYCR-UHFFFAOYSA-N
Compound name
4-O-ethyl 2-O-(2-methoxyethyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

287.08273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09001 166.7
[M+Na]+ 310.07195 173.7
[M+NH4]+ 305.11655 171.9
[M+K]+ 326.04589 170.5
[M-H]- 286.07545 165.8
[M+Na-2H]- 308.05740 167.2
[M]+ 287.08218 167.4
[M]- 287.08328 167.4
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.