CID 51060872

2-(2-(2-(benzyloxy)-5-bromobenzylidene)hydrazino)-n-(3,4-dichlorophenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C22H16BrCl2N3O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H16BrCl2N3O3/c23-16-6-9-20(31-13-14-4-2-1-3-5-14)15(10-16)12-26-28-22(30)21(29)27-17-7-8-18(24)19(25)11-17/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+
InChIKey
MLSGGBWLFPWICT-RPPGKUMJSA-N
Compound name
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.9752 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.98248 208.8
[M+Na]+ 541.96442 213.9
[M+NH4]+ 537.00902 212.0
[M+K]+ 557.93836 210.5
[M-H]- 517.96792 213.6
[M+Na-2H]- 539.94987 214.2
[M]+ 518.97465 210.2
[M]- 518.97575 210.2
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.

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No patent data available for this compound.