CID 337158

68967-49-7

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
CCOC(=O)C1=CC2=C(O1)N=C(S2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O4S/c1-2-20-14(19)10-8-11-13(21-10)17-15(22-11)16-12(18)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17,18)
InChIKey
ZWNNMRRMWXHOHQ-UHFFFAOYSA-N
Compound name
ethyl 2-benzamidofuro[2,3-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.059076 171.1
[M+Na]+ 339.041018 180.7
[M-H]- 315.044524 179.8
[M+NH4]+ 334.085623 188.0
[M+K]+ 355.014958 178.8
[M+H-H2O]+ 299.049060 165.0
[M+HCOO]- 361.050001 191.3
[M+CH3COO]- 375.065651 203.1
[M+Na-2H]- 337.026466 172.6
[M]+ 316.05125142 179.2
[M]- 316.05234858 179.2
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.