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]+ 308.095106 169.8
[M+Na]+ 330.077048 178.4
[M-H]- 306.080554 177.1
[M+NH4]+ 325.121653 187.0
[M+K]+ 346.050988 175.3
[M+H-H2O]+ 290.085090 163.0
[M+HCOO]- 352.086031 189.8
[M+CH3COO]- 366.101681 205.2
[M+Na-2H]- 328.062496 168.0
[M]+ 307.08728142 176.6
[M]- 307.08837858 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.