CID 874645

Methyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate

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 165.3
[M+Na]+ 316.06139 174.3
[M-H]- 292.06489 172.8
[M+NH4]+ 311.10599 183.1
[M+K]+ 332.03533 171.5
[M+H-H2O]+ 276.06943 158.7
[M+HCOO]- 338.07037 185.7
[M+CH3COO]- 352.08602 202.2
[M+Na-2H]- 314.04684 164.0
[M]+ 293.07162 171.7
[M]- 293.07272 171.7
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.