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]+ 315.072396 167.4
[M+Na]+ 337.054338 170.6
[M-H]- 313.057844 174.8
[M+NH4]+ 332.098943 178.7
[M+K]+ 353.028278 160.2
[M+H-H2O]+ 297.062380 166.9
[M+HCOO]- 359.063321 195.4
[M+CH3COO]- 373.078971 199.5
[M+Na-2H]- 335.039786 176.2
[M]+ 314.06457142 163.7
[M]- 314.06566858 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.