CID 45054989

2-(((2-(4-nitrobenzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C22H17N5O5
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H17N5O5/c28-20(24-16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21(29)22(30)26-23-14-15-10-12-17(13-11-15)27(31)32/h1-14H,(H,24,28)(H,25,29)(H,26,30)/b23-14+
InChIKey
DLIZKLPRVPTSTK-OEAKJJBVSA-N
Compound name
N'-[(E)-(4-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.12296 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13024 198.4
[M+Na]+ 454.11218 208.5
[M+NH4]+ 449.15678 202.5
[M+K]+ 470.08612 205.5
[M-H]- 430.11568 205.7
[M+Na-2H]- 452.09763 206.8
[M]+ 431.12241 201.2
[M]- 431.12351 201.2
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.