CID 51060593

2-(2-(2-chloro-5-nitrobenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C15H11ClN4O4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClN4O4/c16-13-7-6-12(20(23)24)8-10(13)9-17-19-15(22)14(21)18-11-4-2-1-3-5-11/h1-9H,(H,18,21)(H,19,22)/b17-9+
InChIKey
AOYALTCHTGVFTM-RQZCQDPDSA-N
Compound name
N'-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.04688 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05416 174.7
[M+Na]+ 369.03610 186.5
[M+NH4]+ 364.08070 180.7
[M+K]+ 385.01004 182.9
[M-H]- 345.03960 180.2
[M+Na-2H]- 367.02155 182.1
[M]+ 346.04633 177.7
[M]- 346.04743 177.7
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.

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No patent data available for this compound.