CID 703945

Ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)N
InChI
InChI=1S/C15H17NO3S/c1-3-18-11-7-5-10(6-8-11)12-9-20-14(16)13(12)15(17)19-4-2/h5-9H,3-4,16H2,1-2H3
InChIKey
AIKLQCJSBQOIDZ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.09293 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 167.1
[M+Na]+ 314.08215 175.1
[M-H]- 290.08565 174.1
[M+NH4]+ 309.12675 184.8
[M+K]+ 330.05609 171.4
[M+H-H2O]+ 274.09019 160.2
[M+HCOO]- 336.09113 187.0
[M+CH3COO]- 350.10678 201.8
[M+Na-2H]- 312.06760 165.7
[M]+ 291.09238 172.0
[M]- 291.09348 172.0
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

patents stripe