CID 9578674

37386-06-4

Structural Information

Molecular Formula
C11H16N5O5
SMILES
C1COCC[N+]1(CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C11H15N5O5/c12-16(3-5-20-6-4-16)8-10(17)14-13-7-9-1-2-11(21-9)15(18)19/h1-2,7H,3-6,8,12H2/p+1/b13-7+
InChIKey
KNUGGBMCHKQQCX-NTUHNPAUSA-O
Compound name
2-(4-aminomorpholin-4-ium-4-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11514 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12242 164.2
[M+Na]+ 321.10436 173.2
[M+NH4]+ 316.14896 171.3
[M+K]+ 337.07830 173.5
[M-H]- 297.10786 171.5
[M+Na-2H]- 319.08981 169.2
[M]+ 298.11459 167.3
[M]- 298.11569 167.3
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.