CID 869563

2-tert-butyl 4-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H19NO4S/c1-6-17-11(15)8-7(2)9(19-10(8)14)12(16)18-13(3,4)5/h6,14H2,1-5H3
InChIKey
BIYRGKXJVULHKF-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 4-O-ethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

285.1035 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 168.6
[M+Na]+ 308.09272 175.6
[M+NH4]+ 303.13732 174.0
[M+K]+ 324.06666 172.8
[M-H]- 284.09622 167.5
[M+Na-2H]- 306.07817 169.3
[M]+ 285.10295 169.4
[M]- 285.10405 169.4
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

patents stripe