CID 7130687

Ethyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C15H17NO4S
SMILES
CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C15H17NO4S/c1-4-20-15(17)14-10(16)8-13(21-14)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3
InChIKey
UMXKBFPCBWUFFY-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09511 170.9
[M+Na]+ 330.07705 181.5
[M+NH4]+ 325.12165 177.9
[M+K]+ 346.05099 176.0
[M-H]- 306.08055 173.9
[M+Na-2H]- 328.06250 175.7
[M]+ 307.08728 173.5
[M]- 307.08838 173.5
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.