CID 9561038

Nsc6482

Structural Information

Molecular Formula
C9H10N4O6
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)C(=O)NCCO
InChI
InChI=1S/C9H10N4O6/c14-4-3-10-8(15)9(16)12-11-5-6-1-2-7(19-6)13(17)18/h1-2,5,14H,3-4H2,(H,10,15)(H,12,16)/b11-5+
InChIKey
MNEFTTFQENGXSM-VZUCSPMQSA-N
Compound name
N-(2-hydroxyethyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06003 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06731 154.8
[M+Na]+ 293.04925 158.6
[M-H]- 269.05275 159.0
[M+NH4]+ 288.09385 169.0
[M+K]+ 309.02319 155.1
[M+H-H2O]+ 253.05729 151.6
[M+HCOO]- 315.05823 182.3
[M+CH3COO]- 329.07388 193.2
[M+Na-2H]- 291.03470 161.7
[M]+ 270.05948 154.1
[M]- 270.06058 154.1
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.