CID 486053

3-(5-nitro-2-furyl)-4,5-dihydroisoxazole-4-carboxamide

Structural Information

Molecular Formula
C8H7N3O5
SMILES
C1C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C8H7N3O5/c9-8(12)4-3-15-10-7(4)5-1-2-6(16-5)11(13)14/h1-2,4H,3H2,(H2,9,12)
InChIKey
JNWKACONUALFMB-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03857 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04585 144.5
[M+Na]+ 248.02779 151.1
[M-H]- 224.03129 151.5
[M+NH4]+ 243.07239 160.2
[M+K]+ 264.00173 148.2
[M+H-H2O]+ 208.03583 142.6
[M+HCOO]- 270.03677 168.7
[M+CH3COO]- 284.05242 181.6
[M+Na-2H]- 246.01324 150.5
[M]+ 225.03802 143.6
[M]- 225.03912 143.6
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.