CID 9638952

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

Structural Information

Molecular Formula
C22H16Cl3N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H16Cl3N3O3/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
IHZOAFATBFMVEH-RPPGKUMJSA-N
Compound name
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.02573 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03301 208.8
[M+Na]+ 498.01495 216.1
[M-H]- 474.01845 217.7
[M+NH4]+ 493.05955 218.0
[M+K]+ 513.98889 209.1
[M+H-H2O]+ 458.02299 200.6
[M+HCOO]- 520.02393 220.5
[M+CH3COO]- 534.03958 238.2
[M+Na-2H]- 496.00040 209.4
[M]+ 475.02518 215.0
[M]- 475.02628 215.0
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.