CID 2733245

64987-03-7

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
CCOC(=O)C(=O)C1=CSC(=N1)NC=O
InChI
InChI=1S/C8H8N2O4S/c1-2-14-7(13)6(12)5-3-15-8(10-5)9-4-11/h3-4H,2H2,1H3,(H,9,10,11)
InChIKey
NTACMHVXGGGRQU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

131
Patents

228.02048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02776 147.4
[M+Na]+ 251.00970 155.2
[M-H]- 227.01320 150.2
[M+NH4]+ 246.05430 165.8
[M+K]+ 266.98364 153.8
[M+H-H2O]+ 211.01774 140.7
[M+HCOO]- 273.01868 166.7
[M+CH3COO]- 287.03433 187.4
[M+Na-2H]- 248.99515 148.1
[M]+ 228.01993 152.2
[M]- 228.02103 152.2
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

patents stripe