CID 51060674

2-(2-(3-nitrobenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C15H12N4O4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O4/c20-14(17-12-6-2-1-3-7-12)15(21)18-16-10-11-5-4-8-13(9-11)19(22)23/h1-10H,(H,17,20)(H,18,21)/b16-10+
InChIKey
GDMMIUCYSCKRFU-MHWRWJLKSA-N
Compound name
N'-[(E)-(3-nitrophenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08585 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09313 166.8
[M+Na]+ 335.07507 170.0
[M-H]- 311.07857 174.4
[M+NH4]+ 330.11967 179.2
[M+K]+ 351.04901 163.6
[M+H-H2O]+ 295.08311 161.8
[M+HCOO]- 357.08405 195.1
[M+CH3COO]- 371.09970 205.1
[M+Na-2H]- 333.06052 174.3
[M]+ 312.08530 164.0
[M]- 312.08640 164.0
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.