CID 332126

Des52pvx5c

Structural Information

Molecular Formula
C13H10N2O5S
SMILES
CCOC(=O)C1=CC2=C(O1)N=C(S2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C13H10N2O5S/c1-2-18-12(17)8-6-9-11(20-8)15-13(21-9)14-10(16)7-4-3-5-19-7/h3-6H,2H2,1H3,(H,14,15,16)
InChIKey
KYIGJDYQFZPSIT-UHFFFAOYSA-N
Compound name
ethyl 2-(furan-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

306.03104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03832 167.5
[M+Na]+ 329.02026 178.7
[M-H]- 305.02376 177.9
[M+NH4]+ 324.06486 185.4
[M+K]+ 344.99420 179.3
[M+H-H2O]+ 289.02830 163.4
[M+HCOO]- 351.02924 189.8
[M+CH3COO]- 365.04489 199.8
[M+Na-2H]- 327.00571 168.9
[M]+ 306.03049 179.1
[M]- 306.03159 179.1
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.