CID 6870802

113875-02-8

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]+ 260.066576 155.0
[M+Na]+ 282.048518 160.3
[M-H]- 258.052024 163.8
[M+NH4]+ 277.093123 170.6
[M+K]+ 298.022458 155.4
[M+H-H2O]+ 242.056560 151.5
[M+HCOO]- 304.057501 184.0
[M+CH3COO]- 318.073151 192.6
[M+Na-2H]- 280.033966 163.2
[M]+ 259.05875142 154.6
[M]- 259.05984858 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.