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 176.1
[M+Na]+ 369.03610 180.7
[M-H]- 345.03960 183.7
[M+NH4]+ 364.08070 188.3
[M+K]+ 385.01004 172.8
[M+H-H2O]+ 329.04414 172.4
[M+HCOO]- 391.04508 199.9
[M+CH3COO]- 405.06073 210.0
[M+Na-2H]- 367.02155 182.1
[M]+ 346.04633 176.2
[M]- 346.04743 176.2
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.