CID 9570072

Nidroxyzone

Structural Information

Molecular Formula
C8H10N4O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N(CCO)C(=O)N
InChI
InChI=1S/C8H10N4O5/c9-8(14)11(3-4-13)10-5-6-1-2-7(17-6)12(15)16/h1-2,5,13H,3-4H2,(H2,9,14)/b10-5+
InChIKey
FJVAAURIDNIYAE-BJMVGYQFSA-N
Compound name
1-(2-hydroxyethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

385
Patents

242.06512 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.072396 148.9
[M+Na]+ 265.054338 153.4
[M-H]- 241.057844 154.1
[M+NH4]+ 260.098943 164.8
[M+K]+ 281.028278 150.7
[M+H-H2O]+ 225.062380 145.8
[M+HCOO]- 287.063321 177.2
[M+CH3COO]- 301.078971 192.1
[M+Na-2H]- 263.039786 155.4
[M]+ 242.06457142 148.3
[M]- 242.06566858 148.3
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