CID 512190

Ethyl 2-acetamido-4-(2-furyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C13H13NO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C
InChI
InChI=1S/C13H13NO4S/c1-3-17-13(16)11-9(10-5-4-6-18-10)7-19-12(11)14-8(2)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey
IGEWGMUHBJRDMQ-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-4-(furan-2-yl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.05652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06380 164.0
[M+Na]+ 302.04574 173.1
[M-H]- 278.04924 173.0
[M+NH4]+ 297.09034 182.8
[M+K]+ 318.01968 171.9
[M+H-H2O]+ 262.05378 158.4
[M+HCOO]- 324.05472 186.0
[M+CH3COO]- 338.07037 196.8
[M+Na-2H]- 300.03119 163.6
[M]+ 279.05597 171.8
[M]- 279.05707 171.8
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.