CID 9570822

2-furaldehyde, 5-nitro-, azine with o-nitrobenzaldehyde

Structural Information

Molecular Formula
C12H8N4O5
SMILES
C1=CC=C(C(=C1)/C=N/N=C/C2=CC=C(O2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O5/c17-15(18)11-4-2-1-3-9(11)7-13-14-8-10-5-6-12(21-10)16(19)20/h1-8H/b13-7+,14-8+
InChIKey
ZKYKYDRCSIVBCD-FNCQTZNRSA-N
Compound name
(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05675 165.7
[M+Na]+ 311.03869 177.8
[M+NH4]+ 306.08329 172.0
[M+K]+ 327.01263 178.7
[M-H]- 287.04219 173.3
[M+Na-2H]- 309.02414 171.8
[M]+ 288.04892 169.1
[M]- 288.05002 169.1
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.