CID 9667605

2-(2-(2-((4-br-benzyl)oxy)benzylidene)hydrazino)-n-(2,3-di-cl-ph)-2-oxoacetamide

Structural Information

Molecular Formula
C22H16BrCl2N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl)OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C22H16BrCl2N3O3/c23-16-10-8-14(9-11-16)13-31-19-7-2-1-4-15(19)12-26-28-22(30)21(29)27-18-6-3-5-17(24)20(18)25/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+
InChIKey
JIVROENDRQIIJB-RPPGKUMJSA-N
Compound name
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]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 208.8
[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.

Patent stripe

No patent data available for this compound.