CID 216926

37853-41-1

Structural Information

Molecular Formula
C14H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=NO2)C3=CC=CO3
InChI
InChI=1S/C14H9N3O5/c18-14(9-3-1-4-10(7-9)17(19)20)15-13-8-11(16-22-13)12-5-2-6-21-12/h1-8H,(H,15,18)
InChIKey
DBLJYENBYNPZCC-UHFFFAOYSA-N
Compound name
N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.05423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06151 163.3
[M+Na]+ 322.04345 170.3
[M-H]- 298.04695 174.5
[M+NH4]+ 317.08805 176.0
[M+K]+ 338.01739 165.8
[M+H-H2O]+ 282.05149 159.9
[M+HCOO]- 344.05243 190.3
[M+CH3COO]- 358.06808 195.1
[M+Na-2H]- 320.02890 170.8
[M]+ 299.05368 165.8
[M]- 299.05478 165.8
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.