CID 9561037

Nsc6475

Structural Information

Molecular Formula
C8H10N4O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)NCCO
InChI
InChI=1S/C8H10N4O5/c13-4-3-9-8(14)11-10-5-6-1-2-7(17-6)12(15)16/h1-2,5,13H,3-4H2,(H2,9,11,14)/b10-5+
InChIKey
NVGVGQZZJQQYNL-BJMVGYQFSA-N
Compound name
1-(2-hydroxyethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06512 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07240 147.8
[M+Na]+ 265.05434 152.2
[M-H]- 241.05784 152.0
[M+NH4]+ 260.09894 163.4
[M+K]+ 281.02828 148.4
[M+H-H2O]+ 225.06238 144.8
[M+HCOO]- 287.06332 176.3
[M+CH3COO]- 301.07897 188.7
[M+Na-2H]- 263.03979 156.1
[M]+ 242.06457 146.9
[M]- 242.06567 146.9
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.