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]+ 317.05908 171.1
[M+Na]+ 339.04102 180.7
[M-H]- 315.04452 179.8
[M+NH4]+ 334.08562 188.0
[M+K]+ 355.01496 178.8
[M+H-H2O]+ 299.04906 165.0
[M+HCOO]- 361.05000 191.3
[M+CH3COO]- 375.06565 203.1
[M+Na-2H]- 337.02647 172.6
[M]+ 316.05125 179.2
[M]- 316.05235 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.