CID 9570926

Malonic acid, bis((5-nitrofurfurylidene)hydrazide)

Structural Information

Molecular Formula
C13H10N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N6O8/c20-10(16-14-6-8-1-3-12(26-8)18(22)23)5-11(21)17-15-7-9-2-4-13(27-9)19(24)25/h1-4,6-7H,5H2,(H,16,20)(H,17,21)/b14-6+,15-7+
InChIKey
RWHXFXSLNZQSSM-MKFXEVHTSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.056 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06328 184.1
[M+Na]+ 401.04522 190.1
[M+NH4]+ 396.08982 192.9
[M+K]+ 417.01916 199.2
[M-H]- 377.04872 181.4
[M+Na-2H]- 399.03067 181.9
[M]+ 378.05545 186.4
[M]- 378.05655 186.4
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.