CID 6870802

N'-(2-furylmethylene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C12H9N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H9N3O4/c16-12(14-13-8-11-5-2-6-19-11)9-3-1-4-10(7-9)15(17)18/h1-8H,(H,14,16)/b13-8+
InChIKey
SKMJYCQEFOXGPG-MDWZMJQESA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.0593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06658 155.0
[M+Na]+ 282.04852 160.3
[M-H]- 258.05202 163.8
[M+NH4]+ 277.09312 170.6
[M+K]+ 298.02246 155.4
[M+H-H2O]+ 242.05656 151.5
[M+HCOO]- 304.05750 184.0
[M+CH3COO]- 318.07315 192.6
[M+Na-2H]- 280.03397 163.2
[M]+ 259.05875 154.6
[M]- 259.05985 154.6
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.