CID 30807

4-isoxazolecarboxamide, n,3-dimethyl-5-(5-nitro-2-furyl)-

Structural Information

Molecular Formula
C10H9N3O5
SMILES
CC1=NOC(=C1C(=O)NC)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O5/c1-5-8(10(14)11-2)9(18-12-5)6-3-4-7(17-6)13(15)16/h3-4H,1-2H3,(H,11,14)
InChIKey
AMFMEUVOBYWBTB-UHFFFAOYSA-N
Compound name
N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05421 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06149 150.9
[M+Na]+ 274.04343 162.5
[M+NH4]+ 269.08803 156.6
[M+K]+ 290.01737 166.0
[M-H]- 250.04693 156.1
[M+Na-2H]- 272.02888 155.3
[M]+ 251.05366 153.6
[M]- 251.05476 153.6
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.