CID 674924

Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CO2
InChI
InChI=1S/C12H12N2O4S/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16)
InChIKey
VPHWFQOJVRPSKQ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

280.0518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.059076 162.7
[M+Na]+ 303.041018 171.3
[M-H]- 279.044524 170.2
[M+NH4]+ 298.085623 179.9
[M+K]+ 319.014958 170.4
[M+H-H2O]+ 263.049060 156.1
[M+HCOO]- 325.050001 183.9
[M+CH3COO]- 339.065651 195.3
[M+Na-2H]- 301.026466 163.2
[M]+ 280.05125142 170.2
[M]- 280.05234858 170.2
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.