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]+ 281.05908 162.7
[M+Na]+ 303.04102 171.3
[M-H]- 279.04452 170.2
[M+NH4]+ 298.08562 179.9
[M+K]+ 319.01496 170.4
[M+H-H2O]+ 263.04906 156.1
[M+HCOO]- 325.05000 183.9
[M+CH3COO]- 339.06565 195.3
[M+Na-2H]- 301.02647 163.2
[M]+ 280.05125 170.2
[M]- 280.05235 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.