CID 486052

5-amino-3-(5-nitro(2-furyl))isoxazole-4-carboxamide

Structural Information

Molecular Formula
C8H6N4O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=NOC(=C2C(=O)N)N
InChI
InChI=1S/C8H6N4O5/c9-7(13)5-6(11-17-8(5)10)3-1-2-4(16-3)12(14)15/h1-2H,10H2,(H2,9,13)
InChIKey
POCJBCZUBBLSDK-UHFFFAOYSA-N
Compound name
5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03381 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04109 145.9
[M+Na]+ 261.02303 154.2
[M-H]- 237.02653 153.6
[M+NH4]+ 256.06763 160.8
[M+K]+ 276.99697 150.5
[M+H-H2O]+ 221.03107 143.4
[M+HCOO]- 283.03201 173.2
[M+CH3COO]- 297.04766 186.6
[M+Na-2H]- 259.00848 152.6
[M]+ 238.03326 146.4
[M]- 238.03436 146.4
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.