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 164.7
[M+Na]+ 310.07195 172.0
[M-H]- 286.07545 168.3
[M+NH4]+ 305.11655 182.5
[M+K]+ 326.04589 170.6
[M+H-H2O]+ 270.07999 158.6
[M+HCOO]- 332.08093 183.3
[M+CH3COO]- 346.09658 200.9
[M+Na-2H]- 308.05740 161.6
[M]+ 287.08218 172.3
[M]- 287.08328 172.3
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.