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 184.7
[M+Na]+ 401.04522 186.1
[M-H]- 377.04872 195.1
[M+NH4]+ 396.08982 193.6
[M+K]+ 417.01916 179.5
[M+H-H2O]+ 361.05326 183.6
[M+HCOO]- 423.05420 216.0
[M+CH3COO]- 437.06985 212.9
[M+Na-2H]- 399.03067 194.7
[M]+ 378.05545 185.3
[M]- 378.05655 185.3
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.