CID 9577606

5-nitro-2-furanacrylic n-(5-nitro-2-furfurylidene)hydrazide

Structural Information

Molecular Formula
C12H8N4O7
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O7/c17-10(4-1-8-2-5-11(22-8)15(18)19)14-13-7-9-3-6-12(23-9)16(20)21/h1-7H,(H,14,17)/b4-1+,13-7+
InChIKey
IUTJYHSRMXYBAA-NYNQDTEKSA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04658 174.0
[M+Na]+ 343.02852 178.1
[M-H]- 319.03202 183.5
[M+NH4]+ 338.07312 185.8
[M+K]+ 359.00246 170.2
[M+H-H2O]+ 303.03656 174.8
[M+HCOO]- 365.03750 203.5
[M+CH3COO]- 379.05315 196.7
[M+Na-2H]- 341.01397 183.2
[M]+ 320.03875 174.6
[M]- 320.03985 174.6
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

No patent data available for this compound.