CID 6506040

1749-93-5

Structural Information

Molecular Formula
C12H12N4O7
SMILES
CCOC(=O)CN1C(=O)CN(C1=O)/N=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O7/c1-2-22-11(18)7-14-9(17)6-15(12(14)19)13-5-8-3-4-10(23-8)16(20)21/h3-5H,2,6-7H2,1H3/b13-5-
InChIKey
XANUSFXLDREZGY-ACAGNQJTSA-N
Compound name
ethyl 2-[3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2,5-dioxoimidazolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07788 168.9
[M+Na]+ 347.05982 175.2
[M-H]- 323.06332 175.8
[M+NH4]+ 342.10442 181.6
[M+K]+ 363.03376 171.3
[M+H-H2O]+ 307.06786 165.6
[M+HCOO]- 369.06880 193.0
[M+CH3COO]- 383.08445 202.4
[M+Na-2H]- 345.04527 172.4
[M]+ 324.07005 171.7
[M]- 324.07115 171.7
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.