CID 51061078

2-(2-(2-(benzyloxy)-5-bromobenzylidene)hydrazino)-n-(2,3-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=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C22H16BrCl2N3O3/c23-16-9-10-19(31-13-14-5-2-1-3-6-14)15(11-16)12-26-28-22(30)21(29)27-18-8-4-7-17(24)20(18)25/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+
InChIKey
CIHODJYPZFLDQN-RPPGKUMJSA-N
Compound name
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(2,3-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 208.1
[M+Na]+ 541.96442 217.6
[M-H]- 517.96792 219.9
[M+NH4]+ 537.00902 219.1
[M+K]+ 557.93836 202.9
[M+H-H2O]+ 501.97246 204.5
[M+HCOO]- 563.97340 222.5
[M+CH3COO]- 577.98905 240.5
[M+Na-2H]- 539.94987 210.7
[M]+ 518.97465 231.0
[M]- 518.97575 231.0
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.