CID 51060700

2-(2-(2-(benzyloxy)-5-bromobenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C22H18BrN3O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C22H18BrN3O3/c23-18-11-12-20(29-15-16-7-3-1-4-8-16)17(13-18)14-24-26-22(28)21(27)25-19-9-5-2-6-10-19/h1-14H,15H2,(H,25,27)(H,26,28)/b24-14+
InChIKey
SRTUURCBMUJYMI-ZVHZXABRSA-N
Compound name
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.05316 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.06044 195.5
[M+Na]+ 474.04238 198.5
[M+NH4]+ 469.08698 198.3
[M+K]+ 490.01632 196.7
[M-H]- 450.04588 200.4
[M+Na-2H]- 472.02783 201.7
[M]+ 451.05261 196.0
[M]- 451.05371 196.0
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.