CID 5562673

Dtxsid10425947

Structural Information

Molecular Formula
C14H10N4O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N\NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O5/c19-14(11-4-2-6-13(8-11)18(22)23)16-15-9-10-3-1-5-12(7-10)17(20)21/h1-9H,(H,16,19)/b15-9-
InChIKey
LXSAONRNDPQYTB-DHDCSXOGSA-N
Compound name
3-nitro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06512 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07240 170.4
[M+Na]+ 337.05434 182.8
[M+NH4]+ 332.09894 176.3
[M+K]+ 353.02828 191.4
[M-H]- 313.05784 177.0
[M+Na-2H]- 335.03979 177.5
[M]+ 314.06457 173.5
[M]- 314.06567 173.5
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.