CID 874645

Methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C14H15NO4S
SMILES
COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)N)OC
InChI
InChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3
InChIKey
ZUSQWNRHCGOMKZ-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

293.07217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07945 166.5
[M+Na]+ 316.06139 177.4
[M+NH4]+ 311.10599 173.7
[M+K]+ 332.03533 172.1
[M-H]- 292.06489 169.6
[M+Na-2H]- 314.04684 171.5
[M]+ 293.07162 169.2
[M]- 293.07272 169.2
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.