CID 51060533

2-(2-(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClN4O4/c16-12-7-6-10(8-13(12)20(23)24)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
YWASQDHBLNSRCL-RQZCQDPDSA-N
Compound name
N'-[(E)-(4-chloro-3-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.

Patent stripe

No patent data available for this compound.