CID 9663540

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

Structural Information

Molecular Formula
C22H17Cl2N3O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H17Cl2N3O3/c23-19-11-8-17(12-20(19)24)26-21(28)22(29)27-25-13-15-6-9-18(10-7-15)30-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+
InChIKey
FKMNEWQLNUHGLE-DHRITJCHSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.0647 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.07198 203.2
[M+Na]+ 464.05392 209.5
[M-H]- 440.05742 213.1
[M+NH4]+ 459.09852 213.1
[M+K]+ 480.02786 202.9
[M+H-H2O]+ 424.06196 194.0
[M+HCOO]- 486.06290 220.2
[M+CH3COO]- 500.07855 233.2
[M+Na-2H]- 462.03937 205.5
[M]+ 441.06415 208.2
[M]- 441.06525 208.2
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.