CID 486068

Ethyl 5-amino-3-(nitro-2-furyl)-4-isoxazolecarboxylate

Structural Information

Molecular Formula
C10H9N3O6
SMILES
CCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C10H9N3O6/c1-2-17-10(14)7-8(12-19-9(7)11)5-3-4-6(18-5)13(15)16/h3-4H,2,11H2,1H3
InChIKey
SZTUSSFUQKECSK-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04913 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05641 154.7
[M+Na]+ 290.03835 163.0
[M-H]- 266.04185 162.7
[M+NH4]+ 285.08295 169.2
[M+K]+ 306.01229 159.9
[M+H-H2O]+ 250.04639 152.5
[M+HCOO]- 312.04733 181.2
[M+CH3COO]- 326.06298 189.7
[M+Na-2H]- 288.02380 161.0
[M]+ 267.04858 158.9
[M]- 267.04968 158.9
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.