CID 337149

68967-51-1

Structural Information

Molecular Formula
C13H10N2O4S2
SMILES
CCOC(=O)C1=CC2=C(O1)N=C(S2)NC(=O)C3=CC=CS3
InChI
InChI=1S/C13H10N2O4S2/c1-2-18-12(17)7-6-9-11(19-7)15-13(21-9)14-10(16)8-4-3-5-20-8/h3-6H,2H2,1H3,(H,14,15,16)
InChIKey
LNYHTCQFIRCITA-UHFFFAOYSA-N
Compound name
ethyl 2-(thiophene-2-carbonylamino)furo[2,3-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0082 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01548 172.9
[M+Na]+ 344.99742 185.0
[M-H]- 321.00092 182.6
[M+NH4]+ 340.04202 192.1
[M+K]+ 360.97136 183.3
[M+H-H2O]+ 305.00546 169.3
[M+HCOO]- 367.00640 190.8
[M+CH3COO]- 381.02205 186.5
[M+Na-2H]- 342.98287 172.4
[M]+ 322.00765 183.9
[M]- 322.00875 183.9
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.