CID 6870646

Furagin

Structural Information

Molecular Formula
C10H8N4O5
SMILES
C1C(=O)NC(=O)N1/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+
InChIKey
DECBQELQORZLLP-UAIOPKHMSA-N
Compound name
1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

363
Patents

264.04947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05675 155.7
[M+Na]+ 287.03869 162.4
[M-H]- 263.04219 161.1
[M+NH4]+ 282.08329 170.2
[M+K]+ 303.01263 156.5
[M+H-H2O]+ 247.04673 152.6
[M+HCOO]- 309.04767 179.7
[M+CH3COO]- 323.06332 187.4
[M+Na-2H]- 285.02414 160.6
[M]+ 264.04892 153.5
[M]- 264.05002 153.5
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