CID 30806

21787-34-8

Structural Information

Molecular Formula
C10H9N3O5
SMILES
CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)NC
InChI
InChI=1S/C10H9N3O5/c1-5-8(10(14)11-2)9(12-18-5)6-3-4-7(17-6)13(15)16/h3-4H,1-2H3,(H,11,14)
InChIKey
XJYSSPANEKRCPU-UHFFFAOYSA-N
Compound name
N,5-dimethyl-3-(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 152.1
[M+Na]+ 274.04343 160.8
[M-H]- 250.04693 160.6
[M+NH4]+ 269.08803 167.6
[M+K]+ 290.01737 157.4
[M+H-H2O]+ 234.05147 150.1
[M+HCOO]- 296.05241 179.1
[M+CH3COO]- 310.06806 188.1
[M+Na-2H]- 272.02888 159.1
[M]+ 251.05366 156.0
[M]- 251.05476 156.0
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.