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 160.9
[M+Na]+ 321.10436 163.0
[M-H]- 297.10786 167.5
[M+NH4]+ 316.14896 172.9
[M+K]+ 337.07830 154.2
[M+H-H2O]+ 281.11240 159.8
[M+HCOO]- 343.11334 183.2
[M+CH3COO]- 357.12899 193.0
[M+Na-2H]- 319.08981 171.8
[M]+ 298.11459 155.1
[M]- 298.11569 155.1
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.