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 169.8
[M+Na]+ 330.07705 178.4
[M-H]- 306.08055 177.1
[M+NH4]+ 325.12165 187.0
[M+K]+ 346.05099 175.3
[M+H-H2O]+ 290.08509 163.0
[M+HCOO]- 352.08603 189.8
[M+CH3COO]- 366.10168 205.2
[M+Na-2H]- 328.06250 168.0
[M]+ 307.08728 176.6
[M]- 307.08838 176.6
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.