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 164.7
[M+Na]+ 311.03869 169.4
[M-H]- 287.04219 174.5
[M+NH4]+ 306.08329 178.4
[M+K]+ 327.01263 160.4
[M+H-H2O]+ 271.04673 164.8
[M+HCOO]- 333.04767 195.4
[M+CH3COO]- 347.06332 195.9
[M+Na-2H]- 309.02414 174.8
[M]+ 288.04892 163.7
[M]- 288.05002 163.7
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.