CID 5337997

Nifuroxazide

Structural Information

Molecular Formula
C12H9N3O5
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
InChIKey
YCWSUKQGVSGXJO-NTUHNPAUSA-N
Compound name
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

175
References

34933
Patents

275.05423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06151 157.2
[M+Na]+ 298.04345 162.7
[M-H]- 274.04695 165.1
[M+NH4]+ 293.08805 171.7
[M+K]+ 314.01739 157.6
[M+H-H2O]+ 258.05149 153.9
[M+HCOO]- 320.05243 184.9
[M+CH3COO]- 334.06808 193.4
[M+Na-2H]- 296.02890 164.7
[M]+ 275.05368 156.8
[M]- 275.05478 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe