CID 9588539

Brn 0334150

Structural Information

Molecular Formula
C11H14N4O6
SMILES
CCCOC(=O)CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O6/c1-2-5-20-10(16)7-14(11(12)17)13-6-8-3-4-9(21-8)15(18)19/h3-4,6H,2,5,7H2,1H3,(H2,12,17)/b13-6+
InChIKey
DWEDRYUOOYRBBB-AWNIVKPZSA-N
Compound name
propyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09134 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09862 165.7
[M+Na]+ 321.08056 169.3
[M-H]- 297.08406 171.9
[M+NH4]+ 316.12516 179.9
[M+K]+ 337.05450 167.3
[M+H-H2O]+ 281.08860 162.0
[M+HCOO]- 343.08954 193.9
[M+CH3COO]- 357.10519 205.0
[M+Na-2H]- 319.06601 170.2
[M]+ 298.09079 167.9
[M]- 298.09189 167.9
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.